N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C21H27N3O3 — CID 131939873

IUPACN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCN(CC2CCCO2)C(=O)c2cc(C)nc(C)n2)cc1
InChIInChI=1S/C21H27N3O3/c1-15-13-20(23-16(2)22-15)21(25)24(14-19-5-4-12-27-19)11-10-17-6-8-18(26-3)9-7-17/h6-9,13,19H,4-5,10-12,14H2,1-3H3
InChIKeyFLHTWBNBBSYCJY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 131939873) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID131939873
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CCN(CC2CCCO2)C(=O)c2cc(C)nc(C)n2)cc1
InChIInChI=1S/C21H27N3O3/c1-15-13-20(23-16(2)22-15)21(25)24(14-19-5-4-12-27-19)11-10-17-6-8-18(26-3)9-7-17/h6-9,13,19H,4-5,10-12,14H2,1-3H3
InChIKeyFLHTWBNBBSYCJY-UHFFFAOYSA-N
XLogP2.97
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77089111
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 71993854
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
3-(4-cyanophenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea
CID 72872389
3-(4-cyanophenyl)-1-[2-(4-methoxyphenyl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97437781
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119805868
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324560
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 131939873) is N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccc(CCN(CC2CCCO2)C(=O)c2cc(C)nc(C)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is FLHTWBNBBSYCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-13-20(23-16(2)22-15)21(25)24(14-19-5-4-12-27-19)11-10-17-6-8-18(26-3)9-7-17/h6-9,13,19H,4-5,10-12,14H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 131939873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).