2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

C19H25N5O2 — CID 109254161

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)NCc3ccccc3OC)cn2)CC1
InChIInChI=1S/C19H25N5O2/c1-3-23-8-10-24(11-9-23)19-21-13-16(14-22-19)18(25)20-12-15-6-4-5-7-17(15)26-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,25)
InChIKeyHCLYMQLYSUXPDN-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.56
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide

2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109254161) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109254161
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)NCc3ccccc3OC)cn2)CC1
InChIInChI=1S/C19H25N5O2/c1-3-23-8-10-24(11-9-23)19-21-13-16(14-22-19)18(25)20-12-15-6-4-5-7-17(15)26-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,25)
InChIKeyHCLYMQLYSUXPDN-UHFFFAOYSA-N
XLogP1.56
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109155083
N-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959370
N-[(4-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254160
4-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20956833
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
6-chloro-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 55664568
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 109254161) is 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)NCc3ccccc3OC)cn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is HCLYMQLYSUXPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-23-8-10-24(11-9-23)19-21-13-16(14-22-19)18(25)20-12-15-6-4-5-7-17(15)26-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,25).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.56, 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-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109254161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).