bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane

C97H147N27O — CID 157449367

About bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane

bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane (PubChem CID 157449367) has the molecular formula C97H147N27O and a molecular weight of 1707.43 g/mol. Its IUPAC name is bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane.

Molecular Properties

• Compound Name: bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane
• PubChem CID: 157449367
• Molecular Formula: C97H147N27O
• Molecular Weight: 1707.43 g/mol
• Exact Mass: 1706.23
• IUPAC Name: bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane
• SMILES: C.C.C.C.C.C.C.C=C1Cc2cnc(C(C)(C)C)nc2N1.CC(C)(C)c1ncc2[nH]cnc2n1.CC(C)(C)c1ncc2c(n1)C=CC2.CC(C)(C)c1ncc2c(n1)C=CC2.CC(C)(C)c1ncc2c(n1)N=CC2.CC(C)(C)c1ncc2c(n1)NCC2.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncc2cn[nH]c2n1.CC(C)(C)c1ncc2ocnc2n1
• InChI: InChI=1S/C11H15N3.2C11H14N2.C10H15N3.2C10H13N3.2C9H12N4.C9H11N3O.7CH4/c1-7-5-8-6-12-10(11(2,3)4)14-9(8)13-7;2*1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;3*1-10(2,3)9-12-6-7-4-5-11-8(7)13-9;1-9(2,3)8-10-4-6-7(13-8)12-5-11-6;1-9(2,3)8-10-4-6-5-11-13-7(6)12-8;1-9(2,3)8-10-4-6-7(12-8)11-5-13-6;;;;;;;/h6H,1,5H2,2-4H3,(H,12,13,14);2*4,6-7H,5H2,1-3H3;6H,4-5H2,1-3H3,(H,11,12,13);5-6H,4H2,1-3H3;4-6H,1-3H3,(H,11,12,13);2*4-5H,1-3H3,(H,10,11,12,13);4-5H,1-3H3;7*1H4
• InChIKey: BSPSWNXVDVTHGZ-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 367.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1707.43
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane?

The IUPAC name of bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane (CID 157449367) is bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane.

What is the SMILES notation for bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane?

The canonical SMILES for bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane is C.C.C.C.C.C.C.C=C1Cc2cnc(C(C)(C)C)nc2N1.CC(C)(C)c1ncc2[nH]cnc2n1.CC(C)(C)c1ncc2c(n1)C=CC2.CC(C)(C)c1ncc2c(n1)C=CC2.CC(C)(C)c1ncc2c(n1)N=CC2.CC(C)(C)c1ncc2c(n1)NCC2.CC(C)(C)c1ncc2cc[nH]c2n1.CC(C)(C)c1ncc2cn[nH]c2n1.CC(C)(C)c1ncc2ocnc2n1.

What is the InChIKey of bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane?

The InChIKey is BSPSWNXVDVTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.2C11H14N2.C10H15N3.2C10H13N3.2C9H12N4.C9H11N3O.7CH4/c1-7-5-8-6-12-10(11(2,3)4)14-9(8)13-7;2*1-11(2,3)10-12-7-8-5-4-6-9(8)13-10;3*1-10(2,3)9-12-6-7-4-5-11-8(7)13-9;1-9(2,3)8-10-4-6-7(13-8)12-5-11-6;1-9(2,3)8-10-4-6-5-11-13-7(6)12-8;1-9(2,3)8-10-4-6-7(12-8)11-5-13-6;;;;;;;/h6H,1,5H2,2-4H3,(H,12,13,14);2*4,6-7H,5H2,1-3H3;6H,4-5H2,1-3H3,(H,11,12,13);5-6H,4H2,1-3H3;4-6H,1-3H3,(H,11,12,13);2*4-5H,1-3H3,(H,10,11,12,13);4-5H,1-3H3;7*1H4.

What are the key properties of bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane?

bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane has a molecular weight of 1707.43 g/mol, XLogP of 22.64, 0 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane is sourced from PubChem (CID 157449367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).