2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine

C18H13F3N6 — CID 170946142

IUPAC2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(F)cc3F)nc3ccc(F)cc23)n[nH]1
InChIInChI=1S/C18H13F3N6/c1-9-6-16(27-26-9)24-17-12-7-10(19)2-4-14(12)22-18(25-17)23-15-5-3-11(20)8-13(15)21/h2-8H,1H3,(H3,22,23,24,25,26,27)
InChIKeyHNUJKKKKTHFCMU-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.57
Rot. Bonds4

About 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine

2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine (PubChem CID 170946142) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
PubChem CID170946142
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(F)cc3F)nc3ccc(F)cc23)n[nH]1
InChIInChI=1S/C18H13F3N6/c1-9-6-16(27-26-9)24-17-12-7-10(19)2-4-14(12)22-18(25-17)23-15-5-3-11(20)8-13(15)21/h2-8H,1H3,(H3,22,23,24,25,26,27)
InChIKeyHNUJKKKKTHFCMU-UHFFFAOYSA-N
XLogP4.57
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
5-Propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
CID 893376
N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 135397887
F0307-0132
CID 722331

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine (CID 170946142) is 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc(F)cc3F)nc3ccc(F)cc23)n[nH]1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
The InChIKey is HNUJKKKKTHFCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c1-9-6-16(27-26-9)24-17-12-7-10(19)2-4-14(12)22-18(25-17)23-15-5-3-11(20)8-13(15)21/h2-8H,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine?
2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine has a molecular weight of 370.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-6-fluoro-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 170946142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).