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

C16H19N5O2 — CID 736392

IUPACN-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O2/c1-23-14-6-3-2-5-13(14)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)
InChIKeyYEBMRJJDTDKJLY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.84
Rot. Bonds3

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

N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 736392) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID736392
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O2/c1-23-14-6-3-2-5-13(14)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)
InChIKeyYEBMRJJDTDKJLY-UHFFFAOYSA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 736392) is N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is YEBMRJJDTDKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-23-14-6-3-2-5-13(14)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-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 736392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).