2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C16H26N2O3 — CID 136963804

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(CCO)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-4-21-16(8-5-6-11(2)10-16)15-17-12(3)13(7-9-19)14(20)18-15/h11,19H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyRLHGUKUXRILBIF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.06
Rot. Bonds5

About 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963804) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963804
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(CCO)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-4-21-16(8-5-6-11(2)10-16)15-17-12(3)13(7-9-19)14(20)18-15/h11,19H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyRLHGUKUXRILBIF-UHFFFAOYSA-N
XLogP2.06
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116745240
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476927
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475658
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963915
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
5-(chloromethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205199
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 116779805
4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one
CID 136960446
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 136963804) is 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(C)c(CCO)c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RLHGUKUXRILBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-21-16(8-5-6-11(2)10-16)15-17-12(3)13(7-9-19)14(20)18-15/h11,19H,4-10H2,1-3H3,(H,17,18,20).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).