4-N-piperidin-1-ylquinazoline-4,7-diamine

C13H17N5 — CID 83005963

IUPAC4-N-piperidin-1-ylquinazoline-4,7-diamine
SMILESNc1ccc2c(NN3CCCCC3)ncnc2c1
InChIInChI=1S/C13H17N5/c14-10-4-5-11-12(8-10)15-9-16-13(11)17-18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,14H2,(H,15,16,17)
InChIKeyZNGLWULARRQXTO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.02
Rot. Bonds2

About 4-N-piperidin-1-ylquinazoline-4,7-diamine

4-N-piperidin-1-ylquinazoline-4,7-diamine (PubChem CID 83005963) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-piperidin-1-ylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-piperidin-1-ylquinazoline-4,7-diamine
PubChem CID83005963
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-piperidin-1-ylquinazoline-4,7-diamine
SMILESNc1ccc2c(NN3CCCCC3)ncnc2c1
InChIInChI=1S/C13H17N5/c14-10-4-5-11-12(8-10)15-9-16-13(11)17-18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,14H2,(H,15,16,17)
InChIKeyZNGLWULARRQXTO-UHFFFAOYSA-N
XLogP2.02
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Aminoquinazoline
CID 84759
Spautin-1
CID 51037431
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
4-Anilinoquinazoline
CID 324081
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-Cyclohexylquinazolin-4-amine
CID 13231190
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
Quinazolin-7-amine
CID 16663769

Frequently Asked Questions

What is the IUPAC name of 4-N-piperidin-1-ylquinazoline-4,7-diamine?
The IUPAC name of 4-N-piperidin-1-ylquinazoline-4,7-diamine (CID 83005963) is 4-N-piperidin-1-ylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-piperidin-1-ylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-piperidin-1-ylquinazoline-4,7-diamine is Nc1ccc2c(NN3CCCCC3)ncnc2c1.
What is the InChIKey of 4-N-piperidin-1-ylquinazoline-4,7-diamine?
The InChIKey is ZNGLWULARRQXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-10-4-5-11-12(8-10)15-9-16-13(11)17-18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,14H2,(H,15,16,17).
What are the key properties of 4-N-piperidin-1-ylquinazoline-4,7-diamine?
4-N-piperidin-1-ylquinazoline-4,7-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-piperidin-1-ylquinazoline-4,7-diamine is sourced from PubChem (CID 83005963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).