7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C18H16ClN5 — CID 12004344

IUPAC7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESClc1cccnc1N1CCc2c(ncnc2Nc2ccccc2)C1
InChIInChI=1S/C18H16ClN5/c19-15-7-4-9-20-18(15)24-10-8-14-16(11-24)21-12-22-17(14)23-13-5-2-1-3-6-13/h1-7,9,12H,8,10-11H2,(H,21,22,23)
InChIKeyAZWIMCIELVAWKP-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.83
Rot. Bonds3

About 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 12004344) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID12004344
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESClc1cccnc1N1CCc2c(ncnc2Nc2ccccc2)C1
InChIInChI=1S/C18H16ClN5/c19-15-7-4-9-20-18(15)24-10-8-14-16(11-24)21-12-22-17(14)23-13-5-2-1-3-6-13/h1-7,9,12H,8,10-11H2,(H,21,22,23)
InChIKeyAZWIMCIELVAWKP-UHFFFAOYSA-N
XLogP3.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 12004344) is 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is Clc1cccnc1N1CCc2c(ncnc2Nc2ccccc2)C1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is AZWIMCIELVAWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c19-15-7-4-9-20-18(15)24-10-8-14-16(11-24)21-12-22-17(14)23-13-5-2-1-3-6-13/h1-7,9,12H,8,10-11H2,(H,21,22,23).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 337.81 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 12004344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).