2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine

C20H28ClN7S — CID 91039080

IUPAC2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine
SMILESCC1(CC2CCN(Nc3nc(Cl)nc4c3ncn4C3CCCC3)CC2)N=CCS1
InChIInChI=1S/C20H28ClN7S/c1-20(23-8-11-29-20)12-14-6-9-27(10-7-14)26-17-16-18(25-19(21)24-17)28(13-22-16)15-4-2-3-5-15/h8,13-15H,2-7,9-12H2,1H3,(H,24,25,26)
InChIKeySAMGYJSTKFXEOB-UHFFFAOYSA-N
MW434.01 g/mol
LogP4.56
Rot. Bonds5

About 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine

2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine (PubChem CID 91039080) has the molecular formula C20H28ClN7S and a molecular weight of 434.01 g/mol. Its IUPAC name is 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine
PubChem CID91039080
Molecular FormulaC20H28ClN7S
Molecular Weight434.01 g/mol
Exact Mass433.18
IUPAC Name2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine
SMILESCC1(CC2CCN(Nc3nc(Cl)nc4c3ncn4C3CCCC3)CC2)N=CCS1
InChIInChI=1S/C20H28ClN7S/c1-20(23-8-11-29-20)12-14-6-9-27(10-7-14)26-17-16-18(25-19(21)24-17)28(13-22-16)15-4-2-3-5-15/h8,13-15H,2-7,9-12H2,1H3,(H,24,25,26)
InChIKeySAMGYJSTKFXEOB-UHFFFAOYSA-N
XLogP4.56
TPSA71.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine with MolForge

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Related Compounds

N-butylbutan-1-amine;2-chloro-9-cyclopentyl-N-(4-ethylpiperidin-1-yl)purin-6-amine
CID 18002086
2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine
CID 18001939
2-chloro-9-cyclopentyl-N-(4-pentylpiperidin-1-yl)purin-6-amine;N-propylpropan-1-amine
CID 18001693
2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine
CID 18001801
2-chloro-9-cyclopentyl-N-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]purin-6-amine
CID 18001854
2-chloro-9-cyclopentyl-N-[4-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]purin-6-amine
CID 18002167
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
2-N-(1-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]purine-2,6-diamine
CID 18002277
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
N-[4-[(2-chloro-9-cyclohexylpurin-6-yl)amino]phenyl]acetamide
CID 117089119
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine
CID 18001664
N-[(6-bromo-3-pyridinyl)methyl]-2-chloro-9-cyclopentylpurin-6-amine
CID 90332878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine?
The IUPAC name of 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine (CID 91039080) is 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine?
The canonical SMILES for 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine is CC1(CC2CCN(Nc3nc(Cl)nc4c3ncn4C3CCCC3)CC2)N=CCS1.
What is the InChIKey of 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine?
The InChIKey is SAMGYJSTKFXEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN7S/c1-20(23-8-11-29-20)12-14-6-9-27(10-7-14)26-17-16-18(25-19(21)24-17)28(13-22-16)15-4-2-3-5-15/h8,13-15H,2-7,9-12H2,1H3,(H,24,25,26).
What are the key properties of 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine?
2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine has a molecular weight of 434.01 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclopentyl-N-[4-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine is sourced from PubChem (CID 91039080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).