5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine

C19H16N6 — CID 58830072

IUPAC5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine
SMILESCc1ccncc1-c1ccc2nc(Nc3ccc(N)nc3)ncc2c1
InChIInChI=1S/C19H16N6/c1-12-6-7-21-11-16(12)13-2-4-17-14(8-13)9-23-19(25-17)24-15-3-5-18(20)22-10-15/h2-11H,1H3,(H2,20,22)(H,23,24,25)
InChIKeySRUCFBGLLWMFAR-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.72
Rot. Bonds3

About 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine

5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine (PubChem CID 58830072) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine
PubChem CID58830072
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine
SMILESCc1ccncc1-c1ccc2nc(Nc3ccc(N)nc3)ncc2c1
InChIInChI=1S/C19H16N6/c1-12-6-7-21-11-16(12)13-2-4-17-14(8-13)9-23-19(25-17)24-15-3-5-18(20)22-10-15/h2-11H,1H3,(H2,20,22)(H,23,24,25)
InChIKeySRUCFBGLLWMFAR-UHFFFAOYSA-N
XLogP3.72
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine (CID 58830072) is 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine is Cc1ccncc1-c1ccc2nc(Nc3ccc(N)nc3)ncc2c1.
What is the InChIKey of 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine?
The InChIKey is SRUCFBGLLWMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-12-6-7-21-11-16(12)13-2-4-17-14(8-13)9-23-19(25-17)24-15-3-5-18(20)22-10-15/h2-11H,1H3,(H2,20,22)(H,23,24,25).
What are the key properties of 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine?
5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine has a molecular weight of 328.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 58830072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).