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

C17H24N6 — CID 56740316

IUPAC2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1ccnc(N2Cc3cnc(C(C)(C)C)nc3C2)n1
InChIInChI=1S/C17H24N6/c1-11(2)20-14-6-7-18-16(22-14)23-9-12-8-19-15(17(3,4)5)21-13(12)10-23/h6-8,11H,9-10H2,1-5H3,(H,18,20,22)
InChIKeySCZOAKYJAAAIIP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.90
Rot. Bonds3

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

2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 56740316) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID56740316
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1ccnc(N2Cc3cnc(C(C)(C)C)nc3C2)n1
InChIInChI=1S/C17H24N6/c1-11(2)20-14-6-7-18-16(22-14)23-9-12-8-19-15(17(3,4)5)21-13(12)10-23/h6-8,11H,9-10H2,1-5H3,(H,18,20,22)
InChIKeySCZOAKYJAAAIIP-UHFFFAOYSA-N
XLogP2.90
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 155524115
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117817569
7-Butyl-4-piperazin-1-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 71519347
N~2~,N~2~,5,6-tetramethyl-N~4~-[2-(2-pyrazinyl)ethyl]-2,4-pyrimidinediamine
CID 39752283
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
2-Tert-butyl-6-(5-ethylpyrimidin-2-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56703409
4-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyrimidin-2-amine
CID 56711018
N~4~-cyclopropyl-6-{4-[(1-isopropyl-1H-pyrrol-3-yl)methyl]piperazin-1-yl}pyrimidine-2,4-diamine
CID 56721199
2-[[2-Amino-6-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-yl]amino]ethanol
CID 56738255
N-ethyl-2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-amine
CID 56739458
N~4~-cyclopropyl-6-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)pyrimidine-2,4-diamine
CID 56742230
4-[2-(2-Methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 56742568

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine (CID 56740316) is 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1ccnc(N2Cc3cnc(C(C)(C)C)nc3C2)n1.
What is the InChIKey of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is SCZOAKYJAAAIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-11(2)20-14-6-7-18-16(22-14)23-9-12-8-19-15(17(3,4)5)21-13(12)10-23/h6-8,11H,9-10H2,1-5H3,(H,18,20,22).
What are the key properties of 2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpyrimidin-4-amine?
2-(2-tert-butyl-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 2.90, 3 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-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56740316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).