2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine

C12H18N6 — CID 143581709

IUPAC2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine
SMILESNc1nc(CC[C@@H]2CCCNC2)nc2nc[nH]c12
InChIInChI=1S/C12H18N6/c13-11-10-12(16-7-15-10)18-9(17-11)4-3-8-2-1-5-14-6-8/h7-8,14H,1-6H2,(H3,13,15,16,17,18)/t8-/m0/s1
InChIKeyZGTJCVZCIWKSHV-QMMMGPOBSA-N
MW246.32 g/mol
LogP0.87
Rot. Bonds3

About 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine

2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine (PubChem CID 143581709) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine
PubChem CID143581709
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine
SMILESNc1nc(CC[C@@H]2CCCNC2)nc2nc[nH]c12
InChIInChI=1S/C12H18N6/c13-11-10-12(16-7-15-10)18-9(17-11)4-3-8-2-1-5-14-6-8/h7-8,14H,1-6H2,(H3,13,15,16,17,18)/t8-/m0/s1
InChIKeyZGTJCVZCIWKSHV-QMMMGPOBSA-N
XLogP0.87
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(oxan-4-ylmethylamino)butyl]-7H-purin-6-amine
CID 143940325
3-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 84732247
6-(2-piperidin-3-ylethyl)-1H-benzimidazole
CID 116925639
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
CID 19762005
5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
CID 65419210
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844
2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
CID 143940334
2-benzyl-7H-purin-6-amine
CID 15986830
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521
3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 176515486
[2-(6-amino-7H-purin-2-yl)-1-deuterioethoxy]methylphosphonic acid
CID 175895615

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine (CID 143581709) is 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine is Nc1nc(CC[C@@H]2CCCNC2)nc2nc[nH]c12.
What is the InChIKey of 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine?
The InChIKey is ZGTJCVZCIWKSHV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N6/c13-11-10-12(16-7-15-10)18-9(17-11)4-3-8-2-1-5-14-6-8/h7-8,14H,1-6H2,(H3,13,15,16,17,18)/t8-/m0/s1.
What are the key properties of 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine?
2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine has a molecular weight of 246.32 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 143581709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).