2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C21H26N4 — CID 24930615

IUPAC2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCn1c(CN2CCc3cnc(C(C)(C)C)nc3C2)cc2ccccc21
InChIInChI=1S/C21H26N4/c1-21(2,3)20-22-12-16-9-10-25(14-18(16)23-20)13-17-11-15-7-5-6-8-19(15)24(17)4/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyUSMFDCZHRNLJOA-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.82
Rot. Bonds2

About 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930615) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930615
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCn1c(CN2CCc3cnc(C(C)(C)C)nc3C2)cc2ccccc21
InChIInChI=1S/C21H26N4/c1-21(2,3)20-22-12-16-9-10-25(14-18(16)23-20)13-17-11-15-7-5-6-8-19(15)24(17)4/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyUSMFDCZHRNLJOA-UHFFFAOYSA-N
XLogP3.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930610
3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
CID 24931119
2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912563
2-tert-butyl-7-[(2,6-dichloro-3-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930699
2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917392
2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930468
4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866217
2-tert-butyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910169
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930615) is 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cn1c(CN2CCc3cnc(C(C)(C)C)nc3C2)cc2ccccc21.
What is the InChIKey of 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is USMFDCZHRNLJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-21(2,3)20-22-12-16-9-10-25(14-18(16)23-20)13-17-11-15-7-5-6-8-19(15)24(17)4/h5-8,11-12H,9-10,13-14H2,1-4H3.
What are the key properties of 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 334.47 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).