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

C21H29N5O2 — CID 66505238

IUPAC2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)NCCc3ccc(OC)cc3)c(C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-4-25-11-13-26(14-12-25)21-23-15-19(16(2)24-21)20(27)22-10-9-17-5-7-18(28-3)8-6-17/h5-8,15H,4,9-14H2,1-3H3,(H,22,27)
InChIKeyDVCIJRGOAAFWOZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.91
Rot. Bonds7

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

2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 66505238) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
PubChem CID66505238
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)NCCc3ccc(OC)cc3)c(C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-4-25-11-13-26(14-12-25)21-23-15-19(16(2)24-21)20(27)22-10-9-17-5-7-18(28-3)8-6-17/h5-8,15H,4,9-14H2,1-3H3,(H,22,27)
InChIKeyDVCIJRGOAAFWOZ-UHFFFAOYSA-N
XLogP1.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505259
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505293
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
2-(4-ethylpiperazin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 66505285
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 20959576
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805
4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 42671014
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260452
N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504096

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide (CID 66505238) is 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)NCCc3ccc(OC)cc3)c(C)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is DVCIJRGOAAFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-25-11-13-26(14-12-25)21-23-15-19(16(2)24-21)20(27)22-10-9-17-5-7-18(28-3)8-6-17/h5-8,15H,4,9-14H2,1-3H3,(H,22,27).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.91, 7 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-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 66505238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).