4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine

C14H15ClN2O — CID 82169566

IUPAC4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
SMILESCCOc1cc(Cl)nc(Cc2cccc(C)c2)n1
InChIInChI=1S/C14H15ClN2O/c1-3-18-14-9-12(15)16-13(17-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyKYVPBIAQAMJCMW-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine

4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine (PubChem CID 82169566) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
PubChem CID82169566
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
SMILESCCOc1cc(Cl)nc(Cc2cccc(C)c2)n1
InChIInChI=1S/C14H15ClN2O/c1-3-18-14-9-12(15)16-13(17-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyKYVPBIAQAMJCMW-UHFFFAOYSA-N
XLogP3.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
4-chloro-6-ethoxy-2-[2-(3-methylphenoxy)ethyl]pyrimidine
CID 82165679
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-chloro-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196977
6-ethoxy-2-methyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 66325892
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidine
CID 66292286
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
N-[[4,6-dimethyl-2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62746002
N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine (CID 82169566) is 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine is CCOc1cc(Cl)nc(Cc2cccc(C)c2)n1.
What is the InChIKey of 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine?
The InChIKey is KYVPBIAQAMJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-3-18-14-9-12(15)16-13(17-14)8-11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine?
4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine is sourced from PubChem (CID 82169566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).