4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine

C13H16N4 — CID 80769963

IUPAC4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C13H16N4/c1-2-14-13-16-11-6-4-3-5-10(11)12(17-13)15-9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyGTRMZNYCLVROSF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.64
Rot. Bonds4

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

4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine (PubChem CID 80769963) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
PubChem CID80769963
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine
SMILESCCNc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C13H16N4/c1-2-14-13-16-11-6-4-3-5-10(11)12(17-13)15-9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyGTRMZNYCLVROSF-UHFFFAOYSA-N
XLogP2.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
CID 80853828
5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one
CID 80816791
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
4-[[2-(ethylamino)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 106198405
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
4-N-cyclohexyl-2-N-[(2-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 134106271
4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine
CID 80803766
4-N-cyclohexyl-2-N-[2-(5-methylfuran-2-yl)ethyl]quinazoline-2,4-diamine
CID 91963748
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine (CID 80769963) is 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine is CCNc1nc(NC2CC2)c2ccccc2n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine?
The InChIKey is GTRMZNYCLVROSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-14-13-16-11-6-4-3-5-10(11)12(17-13)15-9-7-8-9/h3-6,9H,2,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine?
4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-ethylquinazoline-2,4-diamine is sourced from PubChem (CID 80769963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).