2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine

C16H19ClN2O3 — CID 148758551

IUPAC2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
SMILESCOc1cc(Cc2nc(Cl)nc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C16H19ClN2O3/c1-9-10(2)18-16(17)19-12(9)6-11-7-13(20-3)15(22-5)14(8-11)21-4/h7-8H,6H2,1-5H3
InChIKeyOGCBBFUDXMFOAN-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.36
Rot. Bonds5

About 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine

2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine (PubChem CID 148758551) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
PubChem CID148758551
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
SMILESCOc1cc(Cc2nc(Cl)nc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C16H19ClN2O3/c1-9-10(2)18-16(17)19-12(9)6-11-7-13(20-3)15(22-5)14(8-11)21-4/h7-8H,6H2,1-5H3
InChIKeyOGCBBFUDXMFOAN-UHFFFAOYSA-N
XLogP3.36
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 628127
2-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinoxaline
CID 141466082
2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]quinoxaline-5-thiol
CID 151775731
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
7-hexyl-4-methyl-1,1-di(propan-2-yl)-5-[(3,4,5-trimethoxyphenyl)methyl]-3H-oxasilolo[3,4-c]pyridine
CID 23834937
2-chloro-4,5,6-trimethylpyrimidine
CID 12501987
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 175987067
2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine
CID 15154294
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine?
The IUPAC name of 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine (CID 148758551) is 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine?
The canonical SMILES for 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine is COc1cc(Cc2nc(Cl)nc(C)c2C)cc(OC)c1OC.
What is the InChIKey of 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine?
The InChIKey is OGCBBFUDXMFOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-9-10(2)18-16(17)19-12(9)6-11-7-13(20-3)15(22-5)14(8-11)21-4/h7-8H,6H2,1-5H3.
What are the key properties of 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine?
2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine has a molecular weight of 322.79 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 148758551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).