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

C15H19N5 — CID 115145043

IUPAC4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCc1cccc(N(C)c2nc(N)nc3c2CNCC3)c1
InChIInChI=1S/C15H19N5/c1-10-4-3-5-11(8-10)20(2)14-12-9-17-7-6-13(12)18-15(16)19-14/h3-5,8,17H,6-7,9H2,1-2H3,(H2,16,18,19)
InChIKeyBHRURJXQANTELK-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.78
Rot. Bonds2

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

4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 115145043) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID115145043
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCc1cccc(N(C)c2nc(N)nc3c2CNCC3)c1
InChIInChI=1S/C15H19N5/c1-10-4-3-5-11(8-10)20(2)14-12-9-17-7-6-13(12)18-15(16)19-14/h3-5,8,17H,6-7,9H2,1-2H3,(H2,16,18,19)
InChIKeyBHRURJXQANTELK-UHFFFAOYSA-N
XLogP1.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223209
4-N-tert-butyl-4-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145035
N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
4-N,4-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 83863125
4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145070
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80982951
2-N-methyl-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 150772863
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893
2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136924665
2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145181
6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80908545
2-chloro-N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144732

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 115145043) is 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is Cc1cccc(N(C)c2nc(N)nc3c2CNCC3)c1.
What is the InChIKey of 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is BHRURJXQANTELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10-4-3-5-11(8-10)20(2)14-12-9-17-7-6-13(12)18-15(16)19-14/h3-5,8,17H,6-7,9H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 115145043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).