N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

C12H19N5O — CID 2056701

IUPACN-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-4-15-12(18)17-9-7-16(8-10-17)11-13-5-3-6-14-11/h3,5-6H,2,4,7-10H2,1H3,(H,15,18)
InChIKeyJYVNRENNJNFERG-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.72
Rot. Bonds3

About N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 2056701) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID2056701
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-4-15-12(18)17-9-7-16(8-10-17)11-13-5-3-6-14-11/h3,5-6H,2,4,7-10H2,1H3,(H,15,18)
InChIKeyJYVNRENNJNFERG-UHFFFAOYSA-N
XLogP0.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
6-(4-Methylpiperazin-1-yl)-N-neopentylpyrimidin-4-amine
CID 57403350
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 71681474

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 2056701) is N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is JYVNRENNJNFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-4-15-12(18)17-9-7-16(8-10-17)11-13-5-3-6-14-11/h3,5-6H,2,4,7-10H2,1H3,(H,15,18).
What are the key properties of N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 2056701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).