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

C16H23N5O2 — CID 68548838

IUPAC6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNc1nc(NC2C3CN(C(=O)O)CC32)cc(C2CCCCC2)n1
InChIInChI=1S/C16H23N5O2/c17-15-18-12(9-4-2-1-3-5-9)6-13(20-15)19-14-10-7-21(16(22)23)8-11(10)14/h6,9-11,14H,1-5,7-8H2,(H,22,23)(H3,17,18,19,20)
InChIKeyPZLDDFUDLBUSFA-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.13
Rot. Bonds3

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

6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 68548838) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID68548838
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNc1nc(NC2C3CN(C(=O)O)CC32)cc(C2CCCCC2)n1
InChIInChI=1S/C16H23N5O2/c17-15-18-12(9-4-2-1-3-5-9)6-13(20-15)19-14-10-7-21(16(22)23)8-11(10)14/h6,9-11,14H,1-5,7-8H2,(H,22,23)(H3,17,18,19,20)
InChIKeyPZLDDFUDLBUSFA-UHFFFAOYSA-N
XLogP2.13
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[(2-amino-6-cyclopentylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 68547275
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
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
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
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
(1S,5R)-6-(2H-benzotriazole-5-carbonylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 90435522
4-cyclobutyl-6-methylpyrimidin-2-amine
CID 116894620

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 68548838) is 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is Nc1nc(NC2C3CN(C(=O)O)CC32)cc(C2CCCCC2)n1.
What is the InChIKey of 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is PZLDDFUDLBUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c17-15-18-12(9-4-2-1-3-5-9)6-13(20-15)19-14-10-7-21(16(22)23)8-11(10)14/h6,9-11,14H,1-5,7-8H2,(H,22,23)(H3,17,18,19,20).
What are the key properties of 6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
6-[(2-amino-6-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.13, 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-cyclohexylpyrimidin-4-yl)amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 68548838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).