3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide

C14H19N5 — CID 114788799

IUPAC3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1ncc2ccccc2n1
InChIInChI=1S/C14H19N5/c1-3-19(9-10(2)13(15)16)14-17-8-11-6-4-5-7-12(11)18-14/h4-8,10H,3,9H2,1-2H3,(H3,15,16)
InChIKeyKNJLCPUXLUXQMG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.03
Rot. Bonds5

About 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide

3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide (PubChem CID 114788799) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide
PubChem CID114788799
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1ncc2ccccc2n1
InChIInChI=1S/C14H19N5/c1-3-19(9-10(2)13(15)16)14-17-8-11-6-4-5-7-12(11)18-14/h4-8,10H,3,9H2,1-2H3,(H3,15,16)
InChIKeyKNJLCPUXLUXQMG-UHFFFAOYSA-N
XLogP2.03
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide (CID 114788799) is 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)c1ncc2ccccc2n1.
What is the InChIKey of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide?
The InChIKey is KNJLCPUXLUXQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-19(9-10(2)13(15)16)14-17-8-11-6-4-5-7-12(11)18-14/h4-8,10H,3,9H2,1-2H3,(H3,15,16).
What are the key properties of 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide?
3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide has a molecular weight of 257.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(quinazolin-2-yl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 114788799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).