4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine

C15H15ClN2O — CID 63355445

IUPAC4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccccc1Cc1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C15H15ClN2O/c1-19-13-5-3-2-4-11(13)8-15-17-12(10-6-7-10)9-14(16)18-15/h2-5,9-10H,6-8H2,1H3
InChIKeyAYTJZRGRSUJYCM-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.61
Rot. Bonds4

About 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine

4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine (PubChem CID 63355445) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine
PubChem CID63355445
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccccc1Cc1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C15H15ClN2O/c1-19-13-5-3-2-4-11(13)8-15-17-12(10-6-7-10)9-14(16)18-15/h2-5,9-10H,6-8H2,1H3
InChIKeyAYTJZRGRSUJYCM-UHFFFAOYSA-N
XLogP3.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
CID 63355441
2-[(2-chlorophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 63353917
2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
CID 55203028
[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-cyclopentylpyrimidine
CID 104816928
[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methanol
CID 115070027
2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62746485
5-(chloromethyl)-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 55114023
2-[(2-methoxyphenyl)methyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567587
2-[(2-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazine
CID 95825462
4-chloro-6-ethyl-5-iodo-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 66293614
N,6-diethyl-2-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 62190751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine (CID 63355445) is 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine is COc1ccccc1Cc1nc(Cl)cc(C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine?
The InChIKey is AYTJZRGRSUJYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-19-13-5-3-2-4-11(13)8-15-17-12(10-6-7-10)9-14(16)18-15/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine?
4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-[(2-methoxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 63355445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).