2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C15H16ClN3O — CID 106820049

IUPAC2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1cc(Cl)ccc1-c1nc(C)c2c(n1)CCNC2
InChIInChI=1S/C15H16ClN3O/c1-9-12-8-17-6-5-13(12)19-15(18-9)11-4-3-10(16)7-14(11)20-2/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyLRXCVSKTBIUNPN-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 106820049) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID106820049
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1cc(Cl)ccc1-c1nc(C)c2c(n1)CCNC2
InChIInChI=1S/C15H16ClN3O/c1-9-12-8-17-6-5-13(12)19-15(18-9)11-4-3-10(16)7-14(11)20-2/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyLRXCVSKTBIUNPN-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805
[2-(4-chloro-2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106819770
4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737862
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740085
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 142948403
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 106820049) is 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1cc(Cl)ccc1-c1nc(C)c2c(n1)CCNC2.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LRXCVSKTBIUNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-12-8-17-6-5-13(12)19-15(18-9)11-4-3-10(16)7-14(11)20-2/h3-4,7,17H,5-6,8H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 289.77 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 106820049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).