4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine

C14H20N4 — CID 64588281

IUPAC4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
SMILESCC(C)CC(C)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C14H20N4/c1-9(2)6-10(3)18-14-12-7-11(15)4-5-13(12)16-8-17-14/h4-5,7-10H,6,15H2,1-3H3,(H,16,17,18)
InChIKeySIWFUQNEQMLEQE-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds4

About 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine

4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine (PubChem CID 64588281) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
PubChem CID64588281
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
SMILESCC(C)CC(C)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C14H20N4/c1-9(2)6-10(3)18-14-12-7-11(15)4-5-13(12)16-8-17-14/h4-5,7-10H,6,15H2,1-3H3,(H,16,17,18)
InChIKeySIWFUQNEQMLEQE-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine (CID 64588281) is 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine is CC(C)CC(C)Nc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine?
The InChIKey is SIWFUQNEQMLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9(2)6-10(3)18-14-12-7-11(15)4-5-13(12)16-8-17-14/h4-5,7-10H,6,15H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine?
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 64588281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).