4-N-ethylquinazoline-2,4-diamine

C10H12N4 — CID 80770564

IUPAC4-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C10H12N4/c1-2-12-9-7-5-3-4-6-8(7)13-10(11)14-9/h3-6H,2H2,1H3,(H3,11,12,13,14)
InChIKeyPYWQOYOOIYVNRP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.64
Rot. Bonds2

About 4-N-ethylquinazoline-2,4-diamine

4-N-ethylquinazoline-2,4-diamine (PubChem CID 80770564) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-N-ethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-ethylquinazoline-2,4-diamine
PubChem CID80770564
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(N)nc2ccccc12
InChIInChI=1S/C10H12N4/c1-2-12-9-7-5-3-4-6-8(7)13-10(11)14-9/h3-6H,2H2,1H3,(H3,11,12,13,14)
InChIKeyPYWQOYOOIYVNRP-UHFFFAOYSA-N
XLogP1.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-ethylquinazoline-2,4-diamine (CID 80770564) is 4-N-ethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-ethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-ethylquinazoline-2,4-diamine is CCNc1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-ethylquinazoline-2,4-diamine?
The InChIKey is PYWQOYOOIYVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-12-9-7-5-3-4-6-8(7)13-10(11)14-9/h3-6H,2H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-ethylquinazoline-2,4-diamine?
4-N-ethylquinazoline-2,4-diamine has a molecular weight of 188.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethylquinazoline-2,4-diamine is sourced from PubChem (CID 80770564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).