2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine

C17H24N6 — CID 56748139

IUPAC2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1nccc(NC(C)C)n1)C2
InChIInChI=1S/C17H24N6/c1-11(2)7-16-19-8-13-9-23(10-14(13)21-16)17-18-6-5-15(22-17)20-12(3)4/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,18,20,22)
InChIKeyGNVYMOFRWJDVSC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine

2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine (PubChem CID 56748139) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine
PubChem CID56748139
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Cc1ncc2c(n1)CN(c1nccc(NC(C)C)n1)C2
InChIInChI=1S/C17H24N6/c1-11(2)7-16-19-8-13-9-23(10-14(13)21-16)17-18-6-5-15(22-17)20-12(3)4/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,18,20,22)
InChIKeyGNVYMOFRWJDVSC-UHFFFAOYSA-N
XLogP2.81
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 56743493
methyl 6-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidine-4-carboxylate
CID 56719241
2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine
CID 56722263
[7-methyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]quinolin-3-yl]methanol
CID 56751026
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
4,6-dimethyl-2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile
CID 56715242
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753171
N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
2-(3,4-dichlorophenyl)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]ethanone
CID 56760210
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112883178
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine (CID 56748139) is 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine is CC(C)Cc1ncc2c(n1)CN(c1nccc(NC(C)C)n1)C2.
What is the InChIKey of 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is GNVYMOFRWJDVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-11(2)7-16-19-8-13-9-23(10-14(13)21-16)17-18-6-5-15(22-17)20-12(3)4/h5-6,8,11-12H,7,9-10H2,1-4H3,(H,18,20,22).
What are the key properties of 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine?
2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56748139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).