2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

C12H19N5O — CID 173096124

IUPAC2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCC(C)N1CCN(c2nccc(C(N)=O)n2)CC1
InChIInChI=1S/C12H19N5O/c1-9(2)16-5-7-17(8-6-16)12-14-4-3-10(15-12)11(13)18/h3-4,9H,5-8H2,1-2H3,(H2,13,18)
InChIKeyZCFJBCDFFOBWCD-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.11
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 173096124) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID173096124
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCC(C)N1CCN(c2nccc(C(N)=O)n2)CC1
InChIInChI=1S/C12H19N5O/c1-9(2)16-5-7-17(8-6-16)12-14-4-3-10(15-12)11(13)18/h3-4,9H,5-8H2,1-2H3,(H2,13,18)
InChIKeyZCFJBCDFFOBWCD-UHFFFAOYSA-N
XLogP0.11
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]ethanone
CID 163921624
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
2-(azepan-1-yl)pyrimidine-4-carbothioamide
CID 107546180
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 173096124) is 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is CC(C)N1CCN(c2nccc(C(N)=O)n2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is ZCFJBCDFFOBWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)16-5-7-17(8-6-16)12-14-4-3-10(15-12)11(13)18/h3-4,9H,5-8H2,1-2H3,(H2,13,18).
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 173096124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).