4-phenylpyrido[3,4-d]pyrimidin-2-amine

C13H10N4 — CID 122439857

IUPAC4-phenylpyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2ccncc2n1
InChIInChI=1S/C13H10N4/c14-13-16-11-8-15-7-6-10(11)12(17-13)9-4-2-1-3-5-9/h1-8H,(H2,14,16,17)
InChIKeyVKUWYUWSKYUFSE-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.27
Rot. Bonds1

About 4-phenylpyrido[3,4-d]pyrimidin-2-amine

4-phenylpyrido[3,4-d]pyrimidin-2-amine (PubChem CID 122439857) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-phenylpyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-phenylpyrido[3,4-d]pyrimidin-2-amine
PubChem CID122439857
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name4-phenylpyrido[3,4-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2ccncc2n1
InChIInChI=1S/C13H10N4/c14-13-16-11-8-15-7-6-10(11)12(17-13)9-4-2-1-3-5-9/h1-8H,(H2,14,16,17)
InChIKeyVKUWYUWSKYUFSE-UHFFFAOYSA-N
XLogP2.27
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-phenylpyrido[3,4-d]pyrimidin-2-amine (CID 122439857) is 4-phenylpyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-phenylpyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-phenylpyrido[3,4-d]pyrimidin-2-amine is Nc1nc(-c2ccccc2)c2ccncc2n1.
What is the InChIKey of 4-phenylpyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is VKUWYUWSKYUFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c14-13-16-11-8-15-7-6-10(11)12(17-13)9-4-2-1-3-5-9/h1-8H,(H2,14,16,17).
What are the key properties of 4-phenylpyrido[3,4-d]pyrimidin-2-amine?
4-phenylpyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 222.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 122439857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).