N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide

C21H29N5O — CID 109302421

IUPACN-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)N(Cc3ccccc3)C(C)C)n2)CC1
InChIInChI=1S/C21H29N5O/c1-4-24-12-14-25(15-13-24)21-22-11-10-19(23-21)20(27)26(17(2)3)16-18-8-6-5-7-9-18/h5-11,17H,4,12-16H2,1-3H3
InChIKeyCXDHNSBIMSFKLR-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.67
Rot. Bonds6

About N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109302421) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109302421
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)N(Cc3ccccc3)C(C)C)n2)CC1
InChIInChI=1S/C21H29N5O/c1-4-24-12-14-25(15-13-24)21-22-11-10-19(23-21)20(27)26(17(2)3)16-18-8-6-5-7-9-18/h5-11,17H,4,12-16H2,1-3H3
InChIKeyCXDHNSBIMSFKLR-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690
2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109309414
[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302552
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301231
2-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109302376
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109302379
2-(4-benzylpiperazin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109309418
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 109254780

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide (CID 109302421) is N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide is CCN1CCN(c2nccc(C(=O)N(Cc3ccccc3)C(C)C)n2)CC1.
What is the InChIKey of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is CXDHNSBIMSFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-24-12-14-25(15-13-24)21-22-11-10-19(23-21)20(27)26(17(2)3)16-18-8-6-5-7-9-18/h5-11,17H,4,12-16H2,1-3H3.
What are the key properties of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109302421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).