6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C19H20N6 — CID 89350073

IUPAC6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1ccc(N)cc1N1CCc2nc(Nc3ccncc3)ncc2C1
InChIInChI=1S/C19H20N6/c1-13-2-3-15(20)10-18(13)25-9-6-17-14(12-25)11-22-19(24-17)23-16-4-7-21-8-5-16/h2-5,7-8,10-11H,6,9,12,20H2,1H3,(H,21,22,23,24)
InChIKeyRRQOIBCNPYMUKC-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.07
Rot. Bonds3

About 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 89350073) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID89350073
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1ccc(N)cc1N1CCc2nc(Nc3ccncc3)ncc2C1
InChIInChI=1S/C19H20N6/c1-13-2-3-15(20)10-18(13)25-9-6-17-14(12-25)11-22-19(24-17)23-16-4-7-21-8-5-16/h2-5,7-8,10-11H,6,9,12,20H2,1H3,(H,21,22,23,24)
InChIKeyRRQOIBCNPYMUKC-UHFFFAOYSA-N
XLogP3.07
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 89350073) is 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Cc1ccc(N)cc1N1CCc2nc(Nc3ccncc3)ncc2C1.
What is the InChIKey of 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is RRQOIBCNPYMUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-13-2-3-15(20)10-18(13)25-9-6-17-14(12-25)11-22-19(24-17)23-16-4-7-21-8-5-16/h2-5,7-8,10-11H,6,9,12,20H2,1H3,(H,21,22,23,24).
What are the key properties of 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methylphenyl)-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 89350073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).