4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide

C15H18N4O3 — CID 154797193

IUPAC4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2nccc(N)n2)c1
InChIInChI=1S/C15H18N4O3/c1-9(11-8-10(21-2)4-5-12(11)22-3)18-15(20)14-17-7-6-13(16)19-14/h4-9H,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyDGRKMENATPJGHK-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.57
Rot. Bonds5

About 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide

4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide (PubChem CID 154797193) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide
PubChem CID154797193
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2nccc(N)n2)c1
InChIInChI=1S/C15H18N4O3/c1-9(11-8-10(21-2)4-5-12(11)22-3)18-15(20)14-17-7-6-13(16)19-14/h4-9H,1-3H3,(H,18,20)(H2,16,17,19)
InChIKeyDGRKMENATPJGHK-UHFFFAOYSA-N
XLogP1.57
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 8806676
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide (CID 154797193) is 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2nccc(N)n2)c1.
What is the InChIKey of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide?
The InChIKey is DGRKMENATPJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(11-8-10(21-2)4-5-12(11)22-3)18-15(20)14-17-7-6-13(16)19-14/h4-9H,1-3H3,(H,18,20)(H2,16,17,19).
What are the key properties of 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide?
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 154797193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).