4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one

C13H21N3O2 — CID 136976362

IUPAC4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCCC2(C)C)nc[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-13(2)7-5-4-6-9(13)16-11-10(18-3)12(17)15-8-14-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyJWVCXXVUGBMFSV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds3

About 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136976362) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136976362
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCCC2(C)C)nc[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-13(2)7-5-4-6-9(13)16-11-10(18-3)12(17)15-8-14-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyJWVCXXVUGBMFSV-UHFFFAOYSA-N
XLogP2.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137016550
5-methoxy-4-[[4-(methylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136989440
4-(azetidin-3-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136978525
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977554
5-methoxy-4-[(3-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964222
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136976700
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 137007750
4-[[1-(aminomethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008446
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136976362) is 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CCCCC2(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is JWVCXXVUGBMFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2)7-5-4-6-9(13)16-11-10(18-3)12(17)15-8-14-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclohexyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136976362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).