4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine

C15H23N5 — CID 106036460

IUPAC4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
SMILESCC(C)N(C)CCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C15H23N5/c1-11(2)20(3)8-4-7-17-15-13-6-5-12(16)9-14(13)18-10-19-15/h5-6,9-11H,4,7-8,16H2,1-3H3,(H,17,18,19)
InChIKeyADJYETRHRAAVAG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.35
Rot. Bonds6

About 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine

4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine (PubChem CID 106036460) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
PubChem CID106036460
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
SMILESCC(C)N(C)CCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C15H23N5/c1-11(2)20(3)8-4-7-17-15-13-6-5-12(16)9-14(13)18-10-19-15/h5-6,9-11H,4,7-8,16H2,1-3H3,(H,17,18,19)
InChIKeyADJYETRHRAAVAG-UHFFFAOYSA-N
XLogP2.35
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 114139951
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625
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-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine (CID 106036460) is 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine is CC(C)N(C)CCCNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine?
The InChIKey is ADJYETRHRAAVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11(2)20(3)8-4-7-17-15-13-6-5-12(16)9-14(13)18-10-19-15/h5-6,9-11H,4,7-8,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine?
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine is sourced from PubChem (CID 106036460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).