2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C19H15N5 — CID 3235471

IUPAC2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESc1cncc(CNc2nc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C19H15N5/c1-2-8-17-16(7-1)19(22-12-14-5-3-9-20-11-14)24-18(23-17)15-6-4-10-21-13-15/h1-11,13H,12H2,(H,22,23,24)
InChIKeyVLWMQPYZWJBDPL-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.70
Rot. Bonds4

About 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine

2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 3235471) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID3235471
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESc1cncc(CNc2nc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C19H15N5/c1-2-8-17-16(7-1)19(22-12-14-5-3-9-20-11-14)24-18(23-17)15-6-4-10-21-13-15/h1-11,13H,12H2,(H,22,23,24)
InChIKeyVLWMQPYZWJBDPL-UHFFFAOYSA-N
XLogP3.70
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 3235471) is 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine is c1cncc(CNc2nc(-c3cccnc3)nc3ccccc23)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is VLWMQPYZWJBDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-8-17-16(7-1)19(22-12-14-5-3-9-20-11-14)24-18(23-17)15-6-4-10-21-13-15/h1-11,13H,12H2,(H,22,23,24).
What are the key properties of 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 313.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3235471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).