2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine

C19H29ClN6O — CID 18001801

IUPAC2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine
SMILESCCC(OC)C1CCN(Nc2nc(Cl)nc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C19H29ClN6O/c1-3-15(27-2)13-8-10-25(11-9-13)24-17-16-18(23-19(20)22-17)26(12-21-16)14-6-4-5-7-14/h12-15H,3-11H2,1-2H3,(H,22,23,24)
InChIKeyCMFONDASJJIVER-UHFFFAOYSA-N
MW392.94 g/mol
LogP4.06
Rot. Bonds6

About 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine

2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine (PubChem CID 18001801) has the molecular formula C19H29ClN6O and a molecular weight of 392.94 g/mol. Its IUPAC name is 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine
PubChem CID18001801
Molecular FormulaC19H29ClN6O
Molecular Weight392.94 g/mol
Exact Mass392.21
IUPAC Name2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine
SMILESCCC(OC)C1CCN(Nc2nc(Cl)nc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C19H29ClN6O/c1-3-15(27-2)13-8-10-25(11-9-13)24-17-16-18(23-19(20)22-17)26(12-21-16)14-6-4-5-7-14/h12-15H,3-11H2,1-2H3,(H,22,23,24)
InChIKeyCMFONDASJJIVER-UHFFFAOYSA-N
XLogP4.06
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.94
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-pentylpiperidin-1-yl)purin-6-amine;N-propylpropan-1-amine
CID 18001693
2-chloro-9-cyclopentyl-N-[4-(3-piperidin-1-ylpropyl)piperidin-1-yl]purin-6-amine
CID 18001939
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-[(2-methyl-5H-1,3-thiazol-2-yl)methyl]piperidin-1-yl]purin-6-amine
CID 91039080
2-N-(4-aminocyclohexyl)-6-N-[4-(1-butoxypropyl)piperidin-1-yl]-9-cyclopentylpurine-2,6-diamine
CID 18002178
2-chloro-9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-6-amine
CID 18001903
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine
CID 18002070
N-[4-[(2-chloro-9-cyclohexylpurin-6-yl)amino]phenyl]acetamide
CID 117089119
2-chloro-9-cyclopentyl-N-(3-phenylpropyl)purin-6-amine
CID 18473321
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-(1-methoxypropyl)piperidin-1-yl]purin-6-amine?
The IUPAC name of 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine (CID 18001801) is 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine?
The canonical SMILES for 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine is CCC(OC)C1CCN(Nc2nc(Cl)nc3c2ncn3C2CCCC2)CC1.
What is the InChIKey of 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine?
The InChIKey is CMFONDASJJIVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN6O/c1-3-15(27-2)13-8-10-25(11-9-13)24-17-16-18(23-19(20)22-17)26(12-21-16)14-6-4-5-7-14/h12-15H,3-11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine?
2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine has a molecular weight of 392.94 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-cyclopentyl-N-[4-(1-methoxypropyl)piperidin-1-yl]purin-6-amine is sourced from PubChem (CID 18001801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).