4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136956774

IUPAC4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCC(O)(CNc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C14H23N3O2/c1-3-11-4-6-14(19,7-5-11)9-15-12-8-13(18)17-10(2)16-12/h8,11,19H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyMFJUCDZTWUJDGQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.82
Rot. Bonds4

About 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956774) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956774
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCC(O)(CNc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C14H23N3O2/c1-3-11-4-6-14(19,7-5-11)9-15-12-8-13(18)17-10(2)16-12/h8,11,19H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyMFJUCDZTWUJDGQ-UHFFFAOYSA-N
XLogP1.82
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136956774) is 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one is CCC1CCC(O)(CNc2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MFJUCDZTWUJDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-11-4-6-14(19,7-5-11)9-15-12-8-13(18)17-10(2)16-12/h8,11,19H,3-7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).