2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one

C16H26N2O2 — CID 136963570

IUPAC2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C(OCC)C2CCCCC2)n1
InChIInChI=1S/C16H26N2O2/c1-3-8-13-11-14(19)18-16(17-13)15(20-4-2)12-9-6-5-7-10-12/h11-12,15H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyBEWBNFYACWSIHQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.38
Rot. Bonds6

About 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one

2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 136963570) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID136963570
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C(OCC)C2CCCCC2)n1
InChIInChI=1S/C16H26N2O2/c1-3-8-13-11-14(19)18-16(17-13)15(20-4-2)12-9-6-5-7-10-12/h11-12,15H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyBEWBNFYACWSIHQ-UHFFFAOYSA-N
XLogP3.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963825
2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963835
2-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-[cyclohexyl(ethoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475359
2-[cyclohexyl(ethoxy)methyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481331
2-[cyclohexyl(methoxy)methyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481483
2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287884
4-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287887
2-(2-methyloxan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136287889
4-cyclopropyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287909
2-(2-methyloxan-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136287917
4-(2-methylpropyl)-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136298562

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one (CID 136963570) is 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(C(OCC)C2CCCCC2)n1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is BEWBNFYACWSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-8-13-11-14(19)18-16(17-13)15(20-4-2)12-9-6-5-7-10-12/h11-12,15H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one?
2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).