4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine

C15H15N5 — CID 114954524

IUPAC4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
SMILESCc1ccncc1CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C15H15N5/c1-10-4-5-17-7-11(10)8-18-15-13-3-2-12(16)6-14(13)19-9-20-15/h2-7,9H,8,16H2,1H3,(H,18,19,20)
InChIKeyYIRSHUASEXNYRG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

About 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine

4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine (PubChem CID 114954524) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
PubChem CID114954524
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine
SMILESCc1ccncc1CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C15H15N5/c1-10-4-5-17-7-11(10)8-18-15-13-3-2-12(16)6-14(13)19-9-20-15/h2-7,9H,8,16H2,1H3,(H,18,19,20)
InChIKeyYIRSHUASEXNYRG-UHFFFAOYSA-N
XLogP2.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
4-N-(1,2-oxazol-5-ylmethyl)quinazoline-4,7-diamine
CID 106414475
4-N-[(4-methyl-3-pyridinyl)methyl]-6-propan-2-yloxypyrimidine-4,5-diamine
CID 114954606
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114957948
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-[(4-bromothiophen-2-yl)methyl]quinazoline-4,7-diamine
CID 65336460

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine (CID 114954524) is 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine is Cc1ccncc1CNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine?
The InChIKey is YIRSHUASEXNYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-4-5-17-7-11(10)8-18-15-13-3-2-12(16)6-14(13)19-9-20-15/h2-7,9H,8,16H2,1H3,(H,18,19,20).
What are the key properties of 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine?
4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methyl-3-pyridinyl)methyl]quinazoline-4,7-diamine is sourced from PubChem (CID 114954524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).