4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one

C11H18N4O — CID 136792794

IUPAC4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N[C@@H]2CCCC[C@H]2N)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7-13-10(6-11(16)14-7)15-9-5-3-2-4-8(9)12/h6,8-9H,2-5,12H2,1H3,(H2,13,14,15,16)/t8-,9-/m1/s1
InChIKeyXVMGNQNJFPDOSW-RKDXNWHRSA-N
MW222.29 g/mol
LogP0.76
Rot. Bonds2

About 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one

4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136792794) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136792794
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N[C@@H]2CCCC[C@H]2N)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7-13-10(6-11(16)14-7)15-9-5-3-2-4-8(9)12/h6,8-9H,2-5,12H2,1H3,(H2,13,14,15,16)/t8-,9-/m1/s1
InChIKeyXVMGNQNJFPDOSW-RKDXNWHRSA-N
XLogP0.76
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

6-[(4,4-Difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177233933
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
3-[2-(Cyclohexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793846
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
2-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 101582824
4-amino-5-(cyclohexylamino)-2-methyl-1H-pyrimidin-6-one
CID 135815600
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-amino-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 136077565
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
4-amino-2-(1-aminobutyl)-1H-pyrimidin-6-one
CID 136077819
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
2-(aminomethyl)-4-(azepan-1-yl)-1H-pyrimidin-6-one
CID 136314517

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one (CID 136792794) is 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N[C@@H]2CCCC[C@H]2N)cc(=O)[nH]1.
What is the InChIKey of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is XVMGNQNJFPDOSW-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-13-10(6-11(16)14-7)15-9-5-3-2-4-8(9)12/h6,8-9H,2-5,12H2,1H3,(H2,13,14,15,16)/t8-,9-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one?
4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-aminocyclohexyl]amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136792794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).