5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine

C10H8ClN3 — CID 105371438

IUPAC5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine
SMILESCc1cncc(-c2ncncc2Cl)c1
InChIInChI=1S/C10H8ClN3/c1-7-2-8(4-12-3-7)10-9(11)5-13-6-14-10/h2-6H,1H3
InChIKeyCVBSZDPDIVLQQI-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.50
Rot. Bonds1

About 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine

5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine (PubChem CID 105371438) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine
PubChem CID105371438
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine
SMILESCc1cncc(-c2ncncc2Cl)c1
InChIInChI=1S/C10H8ClN3/c1-7-2-8(4-12-3-7)10-9(11)5-13-6-14-10/h2-6H,1H3
InChIKeyCVBSZDPDIVLQQI-UHFFFAOYSA-N
XLogP2.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylphenyl)-5-methylpyridine
CID 146182914
5-chloro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 105371122
3-(2,3-dichlorophenyl)-5-methylpyridine
CID 143008632
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
5-(5-methyl-3-pyridinyl)pyridin-2-amine
CID 115375024
5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 115375039
CID 174996178
CID 174996178
5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
CID 82788090
2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 105371526
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301
4-(3-chlorophenyl)-5-methylpyrimidine
CID 130121120

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine (CID 105371438) is 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine is Cc1cncc(-c2ncncc2Cl)c1.
What is the InChIKey of 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine?
The InChIKey is CVBSZDPDIVLQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c1-7-2-8(4-12-3-7)10-9(11)5-13-6-14-10/h2-6H,1H3.
What are the key properties of 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine?
5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine has a molecular weight of 205.65 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 105371438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).