6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid

C15H17N5O2 — CID 82170284

IUPAC6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C15H17N5O2/c1-19-5-7-20(8-6-19)13-9-12(15(21)22)17-14(18-13)11-3-2-4-16-10-11/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyCDHRWNCRJJIWLW-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.99
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid

6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (PubChem CID 82170284) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
PubChem CID82170284
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCN1CCN(c2cc(C(=O)O)nc(-c3cccnc3)n2)CC1
InChIInChI=1S/C15H17N5O2/c1-19-5-7-20(8-6-19)13-9-12(15(21)22)17-14(18-13)11-3-2-4-16-10-11/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyCDHRWNCRJJIWLW-UHFFFAOYSA-N
XLogP0.99
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170265
2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 56768554
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 156865958
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853775
4-(4-benzhydrylpiperazin-1-yl)-6-phenyl-2-pyridin-3-ylpyrimidine
CID 5233564
4-(4-but-3-ynylpiperazin-1-yl)-6-methyl-2-pyridin-3-ylpyrimidine
CID 133276430
cis-(1R,2S)-2-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]cyclopentan-1-ol
CID 97185427
4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 175342188

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (CID 82170284) is 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is CN1CCN(c2cc(C(=O)O)nc(-c3cccnc3)n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The InChIKey is CDHRWNCRJJIWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-19-5-7-20(8-6-19)13-9-12(15(21)22)17-14(18-13)11-3-2-4-16-10-11/h2-4,9-10H,5-8H2,1H3,(H,21,22).
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).