5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136786656

IUPAC5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9-4-3-5-10(6-9)7-14-12-11(18-2)13(17)16-8-15-12/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyRJMBTOJMVYCGAE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.02
Rot. Bonds4

About 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136786656) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136786656
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-9-4-3-5-10(6-9)7-14-12-11(18-2)13(17)16-8-15-12/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyRJMBTOJMVYCGAE-UHFFFAOYSA-N
XLogP2.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762611
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805362
5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825674

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136786656) is 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2CCCC(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is RJMBTOJMVYCGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-3-5-10(6-9)7-14-12-11(18-2)13(17)16-8-15-12/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136786656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).