6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C15H21N5O2 — CID 68547275

IUPAC6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNc1nc(NC2C3CN(C(=O)O)CC32)cc(C2CCCC2)n1
InChIInChI=1S/C15H21N5O2/c16-14-17-11(8-3-1-2-4-8)5-12(19-14)18-13-9-6-20(15(21)22)7-10(9)13/h5,8-10,13H,1-4,6-7H2,(H,21,22)(H3,16,17,18,19)
InChIKeyVJZSPXBZNNFGMF-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.74
Rot. Bonds3

About 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 68547275) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID68547275
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNc1nc(NC2C3CN(C(=O)O)CC32)cc(C2CCCC2)n1
InChIInChI=1S/C15H21N5O2/c16-14-17-11(8-3-1-2-4-8)5-12(19-14)18-13-9-6-20(15(21)22)7-10(9)13/h5,8-10,13H,1-4,6-7H2,(H,21,22)(H3,16,17,18,19)
InChIKeyVJZSPXBZNNFGMF-UHFFFAOYSA-N
XLogP1.74
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid with MolForge

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Related Compounds

6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 68548838
6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 66741584
4-N-(8-azabicyclo[3.2.1]octan-3-yl)-6-cyclohexylpyrimidine-2,4-diamine
CID 91002117
(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
CID 68869726
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
6-cyclobutylpyrimidine-2,4-diamine
CID 156773674
4-(4-amino-6-carbamoyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 121414953
3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid
CID 129024118
4-cyclohexyl-6-(6-nitro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amine
CID 68543138
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
4-cyclobutyl-6-methylpyrimidin-2-amine
CID 116894620
2-amino-6-cyclopropyl-N-methylpyrimidine-4-carboxamide
CID 54853977

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 68547275) is 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is Nc1nc(NC2C3CN(C(=O)O)CC32)cc(C2CCCC2)n1.
What is the InChIKey of 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is VJZSPXBZNNFGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c16-14-17-11(8-3-1-2-4-8)5-12(19-14)18-13-9-6-20(15(21)22)7-10(9)13/h5,8-10,13H,1-4,6-7H2,(H,21,22)(H3,16,17,18,19).
What are the key properties of 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 303.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 68547275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).