2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide

C21H27N5O2 — CID 109254780

IUPAC2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)cn2)CC1
InChIInChI=1S/C21H27N5O2/c1-16(2)26(15-18-7-5-4-6-8-18)20(28)19-13-22-21(23-14-19)25-11-9-24(10-12-25)17(3)27/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyXVVOKFBOTASVAH-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.20
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide

2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 109254780) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
PubChem CID109254780
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)cn2)CC1
InChIInChI=1S/C21H27N5O2/c1-16(2)26(15-18-7-5-4-6-8-18)20(28)19-13-22-21(23-14-19)25-11-9-24(10-12-25)17(3)27/h4-8,13-14,16H,9-12,15H2,1-3H3
InChIKeyXVVOKFBOTASVAH-UHFFFAOYSA-N
XLogP2.20
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256640
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421
2-(4-acetylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109254741
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
(2R)-2-[benzyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 32727669
2-(4-acetylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109254754
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109254758

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide (CID 109254780) is 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide is CC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)cn2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is XVVOKFBOTASVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16(2)26(15-18-7-5-4-6-8-18)20(28)19-13-22-21(23-14-19)25-11-9-24(10-12-25)17(3)27/h4-8,13-14,16H,9-12,15H2,1-3H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109254780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).