2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine

C18H22N8 — CID 172903790

IUPAC2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H22N8/c1-25(14-4-7-19-16(24-14)12-2-3-12)13-5-8-26(9-6-13)18-15-17(21-10-20-15)22-11-23-18/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,20,21,22,23)
InChIKeyWDTWNMHMKSLDLQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.13
Rot. Bonds4

About 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine

2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 172903790) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID172903790
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C18H22N8/c1-25(14-4-7-19-16(24-14)12-2-3-12)13-5-8-26(9-6-13)18-15-17(21-10-20-15)22-11-23-18/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,20,21,22,23)
InChIKeyWDTWNMHMKSLDLQ-UHFFFAOYSA-N
XLogP2.13
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-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

6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 154580454
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890839
6-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]-7H-purine
CID 133495949
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
1-[1-(7H-purin-6-yl)piperidin-4-yl]ethane-1,2-diol
CID 138385634
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199
2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
CID 172902539
N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine (CID 172903790) is 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine is CN(c1ccnc(C2CC2)n1)C1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is WDTWNMHMKSLDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-25(14-4-7-19-16(24-14)12-2-3-12)13-5-8-26(9-6-13)18-15-17(21-10-20-15)22-11-23-18/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,20,21,22,23).
What are the key properties of 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 350.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 172903790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).