2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid

C16H19N5O2 — CID 56768554

IUPAC2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H19N5O2/c1-12-9-14(19-16(18-12)13-3-2-4-17-10-13)21-7-5-20(6-8-21)11-15(22)23/h2-4,9-10H,5-8,11H2,1H3,(H,22,23)
InChIKeyIVODUIMVWLMZQQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.05
Rot. Bonds4

About 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid

2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid (PubChem CID 56768554) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
PubChem CID56768554
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCc1cc(N2CCN(CC(=O)O)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C16H19N5O2/c1-12-9-14(19-16(18-12)13-3-2-4-17-10-13)21-7-5-20(6-8-21)11-15(22)23/h2-4,9-10H,5-8,11H2,1H3,(H,22,23)
InChIKeyIVODUIMVWLMZQQ-UHFFFAOYSA-N
XLogP1.05
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768572
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
2-methyl-3-[[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 75450397
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768552
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid (CID 56768554) is 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid is Cc1cc(N2CCN(CC(=O)O)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is IVODUIMVWLMZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12-9-14(19-16(18-12)13-3-2-4-17-10-13)21-7-5-20(6-8-21)11-15(22)23/h2-4,9-10H,5-8,11H2,1H3,(H,22,23).
What are the key properties of 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 313.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 56768554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).