4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine

C14H13N5 — CID 163290769

IUPAC4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine
SMILESCc1ncccc1-c1nc(N)nc2cccc(N)c12
InChIInChI=1S/C14H13N5/c1-8-9(4-3-7-17-8)13-12-10(15)5-2-6-11(12)18-14(16)19-13/h2-7H,15H2,1H3,(H2,16,18,19)
InChIKeyFWWNGWPYCFGUQJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.16
Rot. Bonds1

About 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine

4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine (PubChem CID 163290769) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine.

Molecular Properties

Compound Name4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine
PubChem CID163290769
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine
SMILESCc1ncccc1-c1nc(N)nc2cccc(N)c12
InChIInChI=1S/C14H13N5/c1-8-9(4-3-7-17-8)13-12-10(15)5-2-6-11(12)18-14(16)19-13/h2-7H,15H2,1H3,(H2,16,18,19)
InChIKeyFWWNGWPYCFGUQJ-UHFFFAOYSA-N
XLogP2.16
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine?
The IUPAC name of 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine (CID 163290769) is 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine.
What is the SMILES notation for 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine?
The canonical SMILES for 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine is Cc1ncccc1-c1nc(N)nc2cccc(N)c12.
What is the InChIKey of 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine?
The InChIKey is FWWNGWPYCFGUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-8-9(4-3-7-17-8)13-12-10(15)5-2-6-11(12)18-14(16)19-13/h2-7H,15H2,1H3,(H2,16,18,19).
What are the key properties of 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine?
4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-pyridinyl)quinazoline-2,5-diamine is sourced from PubChem (CID 163290769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).