2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine

C19H28ClN5 — CID 90325511

IUPAC2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine
SMILESCC1CCC(Cn2cnc3nc(Cl)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C19H28ClN5/c1-12-6-8-14(9-7-12)10-25-11-21-17-16(25)18(24-19(20)23-17)22-13(2)15-4-3-5-15/h11-15H,3-10H2,1-2H3,(H,22,23,24)/t12?,13-,14?/m1/s1
InChIKeyKALKPNUEWIBQTO-ROKHWSDSSA-N
MW361.92 g/mol
LogP4.91
Rot. Bonds5

About 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine

2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine (PubChem CID 90325511) has the molecular formula C19H28ClN5 and a molecular weight of 361.92 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine
PubChem CID90325511
Molecular FormulaC19H28ClN5
Molecular Weight361.92 g/mol
Exact Mass361.20
IUPAC Name2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine
SMILESCC1CCC(Cn2cnc3nc(Cl)nc(N[C@H](C)C4CCC4)c32)CC1
InChIInChI=1S/C19H28ClN5/c1-12-6-8-14(9-7-12)10-25-11-21-17-16(25)18(24-19(20)23-17)22-13(2)15-4-3-5-15/h11-15H,3-10H2,1-2H3,(H,22,23,24)/t12?,13-,14?/m1/s1
InChIKeyKALKPNUEWIBQTO-ROKHWSDSSA-N
XLogP4.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine with MolForge

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Related Compounds

N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
CID 5288616
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(cyclopropylmethyl)-9H-purine-2,6-diamine
CID 10067698
1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454
N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
9-Cyclohexyl-9H-purin-6-amine
CID 95121
N-cyclopentyl-9-ethyl-9H-purin-6-amine
CID 15693948
9-butyl-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778050
N*6*-Cyclohexyl-N*2*-ethyl-9H-purine-2,6-diamine
CID 11334464
Cyclohexyl-(9-ethyl-9H-purin-6-yl)-amine
CID 15693949
N-0861 racemate
CID 9837708
6-Cyclohexylamino-9-cyclopentyl-purine-2-carbonitrile
CID 9883178

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine?
The IUPAC name of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine (CID 90325511) is 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine.
What is the SMILES notation for 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine?
The canonical SMILES for 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine is CC1CCC(Cn2cnc3nc(Cl)nc(N[C@H](C)C4CCC4)c32)CC1.
What is the InChIKey of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine?
The InChIKey is KALKPNUEWIBQTO-ROKHWSDSSA-N. The full InChI is InChI=1S/C19H28ClN5/c1-12-6-8-14(9-7-12)10-25-11-21-17-16(25)18(24-19(20)23-17)22-13(2)15-4-3-5-15/h11-15H,3-10H2,1-2H3,(H,22,23,24)/t12?,13-,14?/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine?
2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine has a molecular weight of 361.92 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-cyclobutylethyl]-7-[(4-methylcyclohexyl)methyl]purin-6-amine is sourced from PubChem (CID 90325511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).