2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one

C14H22N2O2 — CID 140629085

IUPAC2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOc1ncc(C2CCC(C(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-9(2)10-4-6-11(7-5-10)12-8-15-14(18-3)16-13(12)17/h8-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyWOUSVPKIECFPEK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.71
Rot. Bonds3

About 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one

2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 140629085) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID140629085
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOc1ncc(C2CCC(C(C)C)CC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O2/c1-9(2)10-4-6-11(7-5-10)12-8-15-14(18-3)16-13(12)17/h8-11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyWOUSVPKIECFPEK-UHFFFAOYSA-N
XLogP2.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one (CID 140629085) is 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one is COc1ncc(C2CCC(C(C)C)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is WOUSVPKIECFPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)10-4-6-11(7-5-10)12-8-15-14(18-3)16-13(12)17/h8-11H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 140629085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).