4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine

C14H16N6 — CID 103004388

IUPAC4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
SMILESCn1nccc1CCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C14H16N6/c1-20-11(5-7-19-20)4-6-16-14-12-8-10(15)2-3-13(12)17-9-18-14/h2-3,5,7-9H,4,6,15H2,1H3,(H,16,17,18)
InChIKeyVYOAZBUPEGVULO-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.60
Rot. Bonds4

About 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine

4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine (PubChem CID 103004388) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
PubChem CID103004388
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
SMILESCn1nccc1CCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C14H16N6/c1-20-11(5-7-19-20)4-6-16-14-12-8-10(15)2-3-13(12)17-9-18-14/h2-3,5,7-9H,4,6,15H2,1H3,(H,16,17,18)
InChIKeyVYOAZBUPEGVULO-UHFFFAOYSA-N
XLogP1.60
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-pyrazol-1-ylethyl)quinazoline-4,6-diamine
CID 64590087
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
CID 139981788
4-[(6-aminoquinazolin-4-yl)amino]butanamide
CID 64589483
5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
4-N-[2-(4-but-3-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981937

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine (CID 103004388) is 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine is Cn1nccc1CCNc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine?
The InChIKey is VYOAZBUPEGVULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20-11(5-7-19-20)4-6-16-14-12-8-10(15)2-3-13(12)17-9-18-14/h2-3,5,7-9H,4,6,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 103004388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).