2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C18H24N6 — CID 56754443

IUPAC2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(N2Cc3cnc(C(C)(C)C)nc3C2)nc2c1CCC2
InChIInChI=1S/C18H24N6/c1-18(2,3)16-20-8-11-9-24(10-14(11)21-16)17-22-13-7-5-6-12(13)15(19-4)23-17/h8H,5-7,9-10H2,1-4H3,(H,19,22,23)
InChIKeyBQPXSONLOZIKNO-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 56754443) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID56754443
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCNc1nc(N2Cc3cnc(C(C)(C)C)nc3C2)nc2c1CCC2
InChIInChI=1S/C18H24N6/c1-18(2,3)16-20-8-11-9-24(10-14(11)21-16)17-22-13-7-5-6-12(13)15(19-4)23-17/h8H,5-7,9-10H2,1-4H3,(H,19,22,23)
InChIKeyBQPXSONLOZIKNO-UHFFFAOYSA-N
XLogP2.61
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797
2-(2-ethoxypropan-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728926
4-(hydroxymethyl)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperidin-4-ol
CID 56750759
2-tert-butyl-6-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56723422
[5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91777859
2-tert-butyl-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472086
2-[(2R)-1-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]piperazin-2-yl]ethanol
CID 95873941
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930468
N-[(3S,4R)-1-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70764655
(5R)-2-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97140262

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 56754443) is 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CNc1nc(N2Cc3cnc(C(C)(C)C)nc3C2)nc2c1CCC2.
What is the InChIKey of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BQPXSONLOZIKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-18(2,3)16-20-8-11-9-24(10-14(11)21-16)17-22-13-7-5-6-12(13)15(19-4)23-17/h8H,5-7,9-10H2,1-4H3,(H,19,22,23).
What are the key properties of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 56754443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).