4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine

C15H18N4 — CID 65337115

IUPAC4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NC(C3CC3)C3CC3)ncnc2c1
InChIInChI=1S/C15H18N4/c16-11-5-6-12-13(7-11)17-8-18-15(12)19-14(9-1-2-9)10-3-4-10/h5-10,14H,1-4,16H2,(H,17,18,19)
InChIKeyACJGVBOUBOIQAF-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.81
Rot. Bonds4

About 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine

4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine (PubChem CID 65337115) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine
PubChem CID65337115
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(NC(C3CC3)C3CC3)ncnc2c1
InChIInChI=1S/C15H18N4/c16-11-5-6-12-13(7-11)17-8-18-15(12)19-14(9-1-2-9)10-3-4-10/h5-10,14H,1-4,16H2,(H,17,18,19)
InChIKeyACJGVBOUBOIQAF-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.81
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-(dicyclopropylmethyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine (CID 65337115) is 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine is Nc1ccc2c(NC(C3CC3)C3CC3)ncnc2c1.
What is the InChIKey of 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine?
The InChIKey is ACJGVBOUBOIQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-11-5-6-12-13(7-11)17-8-18-15(12)19-14(9-1-2-9)10-3-4-10/h5-10,14H,1-4,16H2,(H,17,18,19).
What are the key properties of 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine?
4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine has a molecular weight of 254.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65337115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).