N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C15H18N4 — CID 81223209

IUPACN-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cccc(N(C)c2ncnc3c2CNCC3)c1
InChIInChI=1S/C15H18N4/c1-11-4-3-5-12(8-11)19(2)15-13-9-16-7-6-14(13)17-10-18-15/h3-5,8,10,16H,6-7,9H2,1-2H3
InChIKeyFZTJSXHUMUZAFV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.20
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 81223209) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID81223209
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1cccc(N(C)c2ncnc3c2CNCC3)c1
InChIInChI=1S/C15H18N4/c1-11-4-3-5-12(8-11)19(2)15-13-9-16-7-6-14(13)17-10-18-15/h3-5,8,10,16H,6-7,9H2,1-2H3
InChIKeyFZTJSXHUMUZAFV-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 81223209) is N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1cccc(N(C)c2ncnc3c2CNCC3)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FZTJSXHUMUZAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-4-3-5-12(8-11)19(2)15-13-9-16-7-6-14(13)17-10-18-15/h3-5,8,10,16H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 81223209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).