2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C18H27N3O4 — CID 3365108

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOc1cc(OC)nc(C2CCCCC2C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H27N3O4/c1-23-15-10-16(24-2)21-17(20-15)13-7-3-4-8-14(13)18(22)19-11-12-6-5-9-25-12/h10,12-14H,3-9,11H2,1-2H3,(H,19,22)
InChIKeyAARPIXVWGBQBLK-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.06
Rot. Bonds6

About 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 3365108) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID3365108
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOc1cc(OC)nc(C2CCCCC2C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H27N3O4/c1-23-15-10-16(24-2)21-17(20-15)13-7-3-4-8-14(13)18(22)19-11-12-6-5-9-25-12/h10,12-14H,3-9,11H2,1-2H3,(H,19,22)
InChIKeyAARPIXVWGBQBLK-UHFFFAOYSA-N
XLogP2.06
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 90573784
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 131920373
2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109133582
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
(5S)-3-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503557
(5R)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503556
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 3365108) is 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is COc1cc(OC)nc(C2CCCCC2C(=O)NCC2CCCO2)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is AARPIXVWGBQBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-23-15-10-16(24-2)21-17(20-15)13-7-3-4-8-14(13)18(22)19-11-12-6-5-9-25-12/h10,12-14H,3-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 3365108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).