(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone

C14H13ClN2O4 — CID 151869443

IUPAC(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(Cl)nc2)cc(OC)c1OC
InChIInChI=1S/C14H13ClN2O4/c1-19-10-4-8(5-11(20-2)13(10)21-3)12(18)9-6-16-14(15)17-7-9/h4-7H,1-3H3
InChIKeySMJKSRWPTPRBRN-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.39
Rot. Bonds5

About (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 151869443) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID151869443
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(Cl)nc2)cc(OC)c1OC
InChIInChI=1S/C14H13ClN2O4/c1-19-10-4-8(5-11(20-2)13(10)21-3)12(18)9-6-16-14(15)17-7-9/h4-7H,1-3H3
InChIKeySMJKSRWPTPRBRN-UHFFFAOYSA-N
XLogP2.39
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708621
2-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride
CID 175261663
(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 14674009
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171618877
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609

Frequently Asked Questions

What is the IUPAC name of (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 151869443) is (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(Cl)nc2)cc(OC)c1OC.
What is the InChIKey of (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SMJKSRWPTPRBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-19-10-4-8(5-11(20-2)13(10)21-3)12(18)9-6-16-14(15)17-7-9/h4-7H,1-3H3.
What are the key properties of (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 308.72 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 151869443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).