2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine

C11H10ClN3 — CID 104737123

IUPAC2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
SMILESCc1cnc(Cl)nc1Cc1cccnc1
InChIInChI=1S/C11H10ClN3/c1-8-6-14-11(12)15-10(8)5-9-3-2-4-13-7-9/h2-4,6-7H,5H2,1H3
InChIKeyNBQRPLMTYBPPLH-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.42
Rot. Bonds2

About 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine

2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine (PubChem CID 104737123) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
PubChem CID104737123
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
SMILESCc1cnc(Cl)nc1Cc1cccnc1
InChIInChI=1S/C11H10ClN3/c1-8-6-14-11(12)15-10(8)5-9-3-2-4-13-7-9/h2-4,6-7H,5H2,1H3
InChIKeyNBQRPLMTYBPPLH-UHFFFAOYSA-N
XLogP2.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methyl-4-[(3-nitrophenyl)methyl]pyrimidine
CID 161470493
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
CID 102752752
4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
CID 134451931
2-chloro-5-methyl-4-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 170188044
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488
N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447071
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737174
2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine
CID 79079168
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine (CID 104737123) is 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine is Cc1cnc(Cl)nc1Cc1cccnc1.
What is the InChIKey of 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine?
The InChIKey is NBQRPLMTYBPPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-8-6-14-11(12)15-10(8)5-9-3-2-4-13-7-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine?
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine has a molecular weight of 219.68 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 104737123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).