2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

C20H25N5O3 — CID 109254832

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3OC(C)C)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-14(2)28-18-7-5-4-6-17(18)23-19(27)16-12-21-20(22-13-16)25-10-8-24(9-11-25)15(3)26/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)
InChIKeyFENPRJVSGWJQIS-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.18
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109254832) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
PubChem CID109254832
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3OC(C)C)cn2)CC1
InChIInChI=1S/C20H25N5O3/c1-14(2)28-18-7-5-4-6-17(18)23-19(27)16-12-21-20(22-13-16)25-10-8-24(9-11-25)15(3)26/h4-7,12-14H,8-11H2,1-3H3,(H,23,27)
InChIKeyFENPRJVSGWJQIS-UHFFFAOYSA-N
XLogP2.18
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254553
6-(4-methylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109152560
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
5-(piperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109102949
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230971
2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257339
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252305
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (CID 109254832) is 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is CC(=O)N1CCN(c2ncc(C(=O)Nc3ccccc3OC(C)C)cn2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is FENPRJVSGWJQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14(2)28-18-7-5-4-6-17(18)23-19(27)16-12-21-20(22-13-16)25-10-8-24(9-11-25)15(3)26/h4-7,12-14H,8-11H2,1-3H3,(H,23,27).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).