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

C16H19N3 — CID 114737875

IUPAC4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccc(Cc2nc(C)c3c(n2)CCNC3)cc1
InChIInChI=1S/C16H19N3/c1-11-3-5-13(6-4-11)9-16-18-12(2)14-10-17-8-7-15(14)19-16/h3-6,17H,7-10H2,1-2H3
InChIKeyLYJXDWMBCCRBSP-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.33
Rot. Bonds2

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

4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737875) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737875
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccc(Cc2nc(C)c3c(n2)CCNC3)cc1
InChIInChI=1S/C16H19N3/c1-11-3-5-13(6-4-11)9-16-18-12(2)14-10-17-8-7-15(14)19-16/h3-6,17H,7-10H2,1-2H3
InChIKeyLYJXDWMBCCRBSP-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742125
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740025
4-methyl-2-(propylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737879
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
2-[(3-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739988
2-[(4-chlorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742421
2-[(4-methylphenyl)methyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63485746
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805
2-[(2,4-difluorophenyl)methyl]-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742194
3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86690271
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737875) is 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1ccc(Cc2nc(C)c3c(n2)CCNC3)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LYJXDWMBCCRBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-3-5-13(6-4-11)9-16-18-12(2)14-10-17-8-7-15(14)19-16/h3-6,17H,7-10H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).