4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine

C20H20F2N4 — CID 164754253

IUPAC4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
SMILESCCC(Nc1nc(Nc2cc(F)cc(F)c2)nc2ccccc12)C1CC1
InChIInChI=1S/C20H20F2N4/c1-2-17(12-7-8-12)24-19-16-5-3-4-6-18(16)25-20(26-19)23-15-10-13(21)9-14(22)11-15/h3-6,9-12,17H,2,7-8H2,1H3,(H2,23,24,25,26)
InChIKeyZWTIRSUWKSVLOR-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.25
Rot. Bonds6

About 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine

4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine (PubChem CID 164754253) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
PubChem CID164754253
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
SMILESCCC(Nc1nc(Nc2cc(F)cc(F)c2)nc2ccccc12)C1CC1
InChIInChI=1S/C20H20F2N4/c1-2-17(12-7-8-12)24-19-16-5-3-4-6-18(16)25-20(26-19)23-15-10-13(21)9-14(22)11-15/h3-6,9-12,17H,2,7-8H2,1H3,(H2,23,24,25,26)
InChIKeyZWTIRSUWKSVLOR-UHFFFAOYSA-N
XLogP5.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine
CID 142474368
4-N-[(1R)-1-cyclopropylpropyl]-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 161354853
2-N-(3-chloro-4-fluorophenyl)-4-N-(1-cyclopentylethyl)quinazoline-2,4-diamine
CID 164754266
4-N-benzyl-2-N-(3-fluoro-5-methylphenyl)quinazoline-2,4-diamine
CID 46224524
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336
2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
CID 164754230

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine (CID 164754253) is 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine is CCC(Nc1nc(Nc2cc(F)cc(F)c2)nc2ccccc12)C1CC1.
What is the InChIKey of 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine?
The InChIKey is ZWTIRSUWKSVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c1-2-17(12-7-8-12)24-19-16-5-3-4-6-18(16)25-20(26-19)23-15-10-13(21)9-14(22)11-15/h3-6,9-12,17H,2,7-8H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine?
4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine has a molecular weight of 354.40 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpropyl)-2-N-(3,5-difluorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 164754253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).