2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine

C14H19N5 — CID 175549306

IUPAC2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine
SMILESCN1CCC(c2nc(N)c3ccc(N)cc3n2)CC1
InChIInChI=1S/C14H19N5/c1-19-6-4-9(5-7-19)14-17-12-8-10(15)2-3-11(12)13(16)18-14/h2-3,8-9H,4-7,15H2,1H3,(H2,16,17,18)
InChIKeyURBHRSBTVXYDLX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.60
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine

2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine (PubChem CID 175549306) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine
PubChem CID175549306
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine
SMILESCN1CCC(c2nc(N)c3ccc(N)cc3n2)CC1
InChIInChI=1S/C14H19N5/c1-19-6-4-9(5-7-19)14-17-12-8-10(15)2-3-11(12)13(16)18-14/h2-3,8-9H,4-7,15H2,1H3,(H2,16,17,18)
InChIKeyURBHRSBTVXYDLX-UHFFFAOYSA-N
XLogP1.60
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.60
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

Quipazine
CID 5011
4-Aminoquinazoline
CID 84759
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2,4,6-Triaminoquinazoline
CID 292661
Revaprazan
CID 204104
N-Methylquipazine
CID 5013
N-Benzylquinazolin-4-amine
CID 616573

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine (CID 175549306) is 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine is CN1CCC(c2nc(N)c3ccc(N)cc3n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine?
The InChIKey is URBHRSBTVXYDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19-6-4-9(5-7-19)14-17-12-8-10(15)2-3-11(12)13(16)18-14/h2-3,8-9H,4-7,15H2,1H3,(H2,16,17,18).
What are the key properties of 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine?
2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine is sourced from PubChem (CID 175549306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).