4-chloro-6-phenylmethoxy-2-propylpyrimidine

C14H15ClN2O — CID 80939582

IUPAC4-chloro-6-phenylmethoxy-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OCc2ccccc2)n1
InChIInChI=1S/C14H15ClN2O/c1-2-6-13-16-12(15)9-14(17-13)18-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3
InChIKeyPPMZNSDJNUKENU-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-6-phenylmethoxy-2-propylpyrimidine

4-chloro-6-phenylmethoxy-2-propylpyrimidine (PubChem CID 80939582) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-6-phenylmethoxy-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-phenylmethoxy-2-propylpyrimidine
PubChem CID80939582
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-6-phenylmethoxy-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(OCc2ccccc2)n1
InChIInChI=1S/C14H15ClN2O/c1-2-6-13-16-12(15)9-14(17-13)18-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3
InChIKeyPPMZNSDJNUKENU-UHFFFAOYSA-N
XLogP3.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
CID 82824581
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
2-chloro-6-phenylmethoxy-N,N-dipropylpyridine-4-carboxamide
CID 129054347
4-benzylsulfanyl-6-chloro-2-propylpyrimidine
CID 80945651
4-chloro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
CID 104561317
2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
4-chloro-6-ethoxy-2-[(3-methylphenyl)methyl]pyrimidine
CID 82169566

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenylmethoxy-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-phenylmethoxy-2-propylpyrimidine (CID 80939582) is 4-chloro-6-phenylmethoxy-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-phenylmethoxy-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-phenylmethoxy-2-propylpyrimidine is CCCc1nc(Cl)cc(OCc2ccccc2)n1.
What is the InChIKey of 4-chloro-6-phenylmethoxy-2-propylpyrimidine?
The InChIKey is PPMZNSDJNUKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-2-6-13-16-12(15)9-14(17-13)18-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3.
What are the key properties of 4-chloro-6-phenylmethoxy-2-propylpyrimidine?
4-chloro-6-phenylmethoxy-2-propylpyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenylmethoxy-2-propylpyrimidine is sourced from PubChem (CID 80939582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).