2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

C14H15ClN4O2 — CID 154628241

IUPAC2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNc2nc(Cl)ncc2C(N)=O)c1
InChIInChI=1S/C14H15ClN4O2/c1-21-10-4-2-3-9(7-10)5-6-17-13-11(12(16)20)8-18-14(15)19-13/h2-4,7-8H,5-6H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyPZBTYHGJUDLRQW-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.89
Rot. Bonds6

About 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 154628241) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
PubChem CID154628241
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1cccc(CCNc2nc(Cl)ncc2C(N)=O)c1
InChIInChI=1S/C14H15ClN4O2/c1-21-10-4-2-3-9(7-10)5-6-17-13-11(12(16)20)8-18-14(15)19-13/h2-4,7-8H,5-6H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyPZBTYHGJUDLRQW-UHFFFAOYSA-N
XLogP1.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628189
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
CID 154628278
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107854625
[3-[[5-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]methanol
CID 58467923
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (CID 154628241) is 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is COc1cccc(CCNc2nc(Cl)ncc2C(N)=O)c1.
What is the InChIKey of 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is PZBTYHGJUDLRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-10-4-2-3-9(7-10)5-6-17-13-11(12(16)20)8-18-14(15)19-13/h2-4,7-8H,5-6H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154628241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).