6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

C19H14ClN5 — CID 87621094

IUPAC6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESCc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cnc1Cl
InChIInChI=1S/C19H14ClN5/c1-11-9-13(10-22-18(11)20)14-7-8-15-17(23-14)16(25-19(21)24-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,21,24,25)
InChIKeyGJCNPZPCFWOHQI-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.30
Rot. Bonds2

About 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 87621094) has the molecular formula C19H14ClN5 and a molecular weight of 347.81 g/mol. Its IUPAC name is 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID87621094
Molecular FormulaC19H14ClN5
Molecular Weight347.81 g/mol
Exact Mass347.09
IUPAC Name6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESCc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cnc1Cl
InChIInChI=1S/C19H14ClN5/c1-11-9-13(10-22-18(11)20)14-7-8-15-17(23-14)16(25-19(21)24-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,21,24,25)
InChIKeyGJCNPZPCFWOHQI-UHFFFAOYSA-N
XLogP4.30
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (CID 87621094) is 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is Cc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cnc1Cl.
What is the InChIKey of 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is GJCNPZPCFWOHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5/c1-11-9-13(10-22-18(11)20)14-7-8-15-17(23-14)16(25-19(21)24-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,21,24,25).
What are the key properties of 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 347.81 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 87621094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).