2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide

C21H29N5O2 — CID 66505259

IUPAC2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)NC(C)c3ccc(OC)cc3)c(C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-5-25-10-12-26(13-11-25)21-22-14-19(16(3)24-21)20(27)23-15(2)17-6-8-18(28-4)9-7-17/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,27)
InChIKeyFVVYXJPVNWGTQP-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide

2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 66505259) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
PubChem CID66505259
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)NC(C)c3ccc(OC)cc3)c(C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-5-25-10-12-26(13-11-25)21-22-14-19(16(3)24-21)20(27)23-15(2)17-6-8-18(28-4)9-7-17/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,27)
InChIKeyFVVYXJPVNWGTQP-UHFFFAOYSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
N-[1-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 132657337
2-(4-ethylpiperazin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 66505285
N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504096
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 20959576
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 66505240
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
4-methyl-2-(4-propylpiperazin-1-yl)pyrimidine-5-carboxylic acid
CID 83181655
2-[4-(3-chlorophenyl)piperazin-1-yl]-4-methoxy-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42847751
4-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504141

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide (CID 66505259) is 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)NC(C)c3ccc(OC)cc3)c(C)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is FVVYXJPVNWGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-5-25-10-12-26(13-11-25)21-22-14-19(16(3)24-21)20(27)23-15(2)17-6-8-18(28-4)9-7-17/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,27).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 66505259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).