N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C16H19N5O — CID 6457994

IUPACN-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O/c1-13-5-2-3-6-14(13)19-16(22)21-11-9-20(10-12-21)15-17-7-4-8-18-15/h2-8H,9-12H2,1H3,(H,19,22)
InChIKeyALKSLVZJNZGOMN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.14
Rot. Bonds2

About N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 6457994) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID6457994
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O/c1-13-5-2-3-6-14(13)19-16(22)21-11-9-20(10-12-21)15-17-7-4-8-18-15/h2-8H,9-12H2,1H3,(H,19,22)
InChIKeyALKSLVZJNZGOMN-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 6457994) is N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is ALKSLVZJNZGOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-13-5-2-3-6-14(13)19-16(22)21-11-9-20(10-12-21)15-17-7-4-8-18-15/h2-8H,9-12H2,1H3,(H,19,22).
What are the key properties of N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 6457994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).