N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

C16H21N7O — CID 109246934

IUPACN-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C16H21N7O/c1-12(2)21-14(24)13-10-19-16(20-11-13)23-8-6-22(7-9-23)15-17-4-3-5-18-15/h3-5,10-12H,6-9H2,1-2H3,(H,21,24)
InChIKeyHOXHXKFDGFCJBS-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.73
Rot. Bonds4

About N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide

N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109246934) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109246934
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C16H21N7O/c1-12(2)21-14(24)13-10-19-16(20-11-13)23-8-6-22(7-9-23)15-17-4-3-5-18-15/h3-5,10-12H,6-9H2,1-2H3,(H,21,24)
InChIKeyHOXHXKFDGFCJBS-UHFFFAOYSA-N
XLogP0.73
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
N-propan-2-yl-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 2375700
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109246934) is N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is HOXHXKFDGFCJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-12(2)21-14(24)13-10-19-16(20-11-13)23-8-6-22(7-9-23)15-17-4-3-5-18-15/h3-5,10-12H,6-9H2,1-2H3,(H,21,24).
What are the key properties of N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109246934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).