4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine

C13H14ClN3 — CID 79739170

IUPAC4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine
SMILESCCc1ccc(Cc2ncnc(Cl)c2C)nc1
InChIInChI=1S/C13H14ClN3/c1-3-10-4-5-11(15-7-10)6-12-9(2)13(14)17-8-16-12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyHGMPZCBSLALNCA-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.99
Rot. Bonds3

About 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine

4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine (PubChem CID 79739170) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine
PubChem CID79739170
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine
SMILESCCc1ccc(Cc2ncnc(Cl)c2C)nc1
InChIInChI=1S/C13H14ClN3/c1-3-10-4-5-11(15-7-10)6-12-9(2)13(14)17-8-16-12/h4-5,7-8H,3,6H2,1-2H3
InChIKeyHGMPZCBSLALNCA-UHFFFAOYSA-N
XLogP2.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-methylpyrimidin-4-amine
CID 79740521
5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine
CID 79722755
2-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80976151
3,5-dichloro-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
CID 102753595
6-[(5-ethyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79739090
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
3-[(5-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-N-propylpyrazin-2-amine
CID 79721625
5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
CID 79738374
2-[[4-[[4-[(4-ethylphenyl)methyl]phenyl]methyl]phenyl]methyl]-5-methylpyridine
CID 59265435
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852
4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine (CID 79739170) is 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine is CCc1ccc(Cc2ncnc(Cl)c2C)nc1.
What is the InChIKey of 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine?
The InChIKey is HGMPZCBSLALNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-3-10-4-5-11(15-7-10)6-12-9(2)13(14)17-8-16-12/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine?
4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine has a molecular weight of 247.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine is sourced from PubChem (CID 79739170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).