4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid

C16H18N4O2 — CID 56867245

IUPAC4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCc1cc(N2CCNC(C(=O)O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(20-8-7-17-13(10-20)16(21)22)19-15(18-11)12-5-3-2-4-6-12/h2-6,9,13,17H,7-8,10H2,1H3,(H,21,22)
InChIKeyPHQVXRJJRSQCEV-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.31
Rot. Bonds3

About 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid

4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid (PubChem CID 56867245) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
PubChem CID56867245
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESCc1cc(N2CCNC(C(=O)O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-9-14(20-8-7-17-13(10-20)16(21)22)19-15(18-11)12-5-3-2-4-6-12/h2-6,9,13,17H,7-8,10H2,1H3,(H,21,22)
InChIKeyPHQVXRJJRSQCEV-UHFFFAOYSA-N
XLogP1.31
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 95127459
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
(3aR,6aS)-5-[1-(6-methyl-2-phenylpyrimidin-4-yl)piperidin-4-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 72920514
(4R)-1-(6-methyl-2-phenylpyrimidin-4-yl)azepan-4-amine
CID 95723048
1-(6-methyl-2-phenylpyrimidin-4-yl)-N-[(3R)-thiolan-3-yl]piperidin-4-amine
CID 97268462
N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251599
4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid
CID 83848846
[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 42802499
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid (CID 56867245) is 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid is Cc1cc(N2CCNC(C(=O)O)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The InChIKey is PHQVXRJJRSQCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-9-14(20-8-7-17-13(10-20)16(21)22)19-15(18-11)12-5-3-2-4-6-12/h2-6,9,13,17H,7-8,10H2,1H3,(H,21,22).
What are the key properties of 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid?
4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 56867245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).