9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine

C14H20N6 — CID 174450493

IUPAC9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine
SMILESNc1nc(N2CCCCC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C14H20N6/c15-14-17-12(19-6-2-1-3-7-19)11-13(18-14)20(9-16-11)8-10-4-5-10/h9-10H,1-8H2,(H2,15,17,18)
InChIKeyYHBKKPKHDCKCMM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.81
Rot. Bonds3

About 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine

9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine (PubChem CID 174450493) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine
PubChem CID174450493
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine
SMILESNc1nc(N2CCCCC2)c2ncn(CC3CC3)c2n1
InChIInChI=1S/C14H20N6/c15-14-17-12(19-6-2-1-3-7-19)11-13(18-14)20(9-16-11)8-10-4-5-10/h9-10H,1-8H2,(H2,15,17,18)
InChIKeyYHBKKPKHDCKCMM-UHFFFAOYSA-N
XLogP1.81
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
CID 10634902
1-(2-amino-6-piperidin-1-ylpurin-9-yl)propan-2-yloxymethylphosphonic acid
CID 18765120
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
CID 149302414
[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]methanol;ethane
CID 156801971
N-[4-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine
CID 156801960
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
CID 59333669
[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
CID 102426371
3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide
CID 143467207
9-[(4aR,6R,7S,7aS)-2-(cyclopropylmethoxy)-7-methyl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-(azetidin-1-yl)purin-2-amine
CID 143911840
[1-[(2-amino-6-morpholin-4-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
CID 10178040
[[(2S,3S,4R,5R)-5-(2-amino-6-piperidin-1-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl] dihydrogen phosphate
CID 54006946
9-[(2S,5R)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]oxolan-2-yl]-6-pyrrolidin-1-ylpurin-2-amine
CID 71585041

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine?
The IUPAC name of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine (CID 174450493) is 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine.
What is the SMILES notation for 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine?
The canonical SMILES for 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine is Nc1nc(N2CCCCC2)c2ncn(CC3CC3)c2n1.
What is the InChIKey of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine?
The InChIKey is YHBKKPKHDCKCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c15-14-17-12(19-6-2-1-3-7-19)11-13(18-14)20(9-16-11)8-10-4-5-10/h9-10H,1-8H2,(H2,15,17,18).
What are the key properties of 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine?
9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine is sourced from PubChem (CID 174450493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).