4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine

C14H12ClN5 — CID 169409430

IUPAC4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCc1cc(C)n(-c2cc(Cl)nc(-c3ccccn3)n2)n1
InChIInChI=1S/C14H12ClN5/c1-9-7-10(2)20(19-9)13-8-12(15)17-14(18-13)11-5-3-4-6-16-11/h3-8H,1-2H3
InChIKeyOKTYYQOTFBTGBK-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.99
Rot. Bonds2

About 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 169409430) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine
PubChem CID169409430
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCc1cc(C)n(-c2cc(Cl)nc(-c3ccccn3)n2)n1
InChIInChI=1S/C14H12ClN5/c1-9-7-10(2)20(19-9)13-8-12(15)17-14(18-13)11-5-3-4-6-16-11/h3-8H,1-2H3
InChIKeyOKTYYQOTFBTGBK-UHFFFAOYSA-N
XLogP2.99
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
CID 139300479
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-pyrazin-2-ylpyrimidine
CID 169409428
2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine
CID 139300724
4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
CID 139150015
CID 139150015
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
6-chloro-5-methyl-2-pyridin-2-ylpyrimidin-4-amine;ethane
CID 142506928
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 1376772

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine (CID 169409430) is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine is Cc1cc(C)n(-c2cc(Cl)nc(-c3ccccn3)n2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is OKTYYQOTFBTGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-7-10(2)20(19-9)13-8-12(15)17-14(18-13)11-5-3-4-6-16-11/h3-8H,1-2H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine?
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 285.74 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 169409430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).