4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C18H15F2N7 — CID 154649329

IUPAC4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NCC(F)(F)c2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H15F2N7/c19-18(20,15-3-1-2-7-22-15)10-23-16-12-5-4-11(13-6-8-24-27-13)9-14(12)25-17(21)26-16/h1-9H,10H2,(H,24,27)(H3,21,23,25,26)
InChIKeyQEYYWXDITMHRON-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.20
Rot. Bonds5

About 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649329) has the molecular formula C18H15F2N7 and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649329
Molecular FormulaC18H15F2N7
Molecular Weight367.36 g/mol
Exact Mass367.14
IUPAC Name4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NCC(F)(F)c2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H15F2N7/c19-18(20,15-3-1-2-7-22-15)10-23-16-12-5-4-11(13-6-8-24-27-13)9-14(12)25-17(21)26-16/h1-9H,10H2,(H,24,27)(H3,21,23,25,26)
InChIKeyQEYYWXDITMHRON-UHFFFAOYSA-N
XLogP3.20
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 137417642
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 154649438
4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649367
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649381
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
CID 154649288
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 158180198
7-(1H-pyrazol-5-yl)-4-N-(2-pyridin-2-ylethyl)quinoline-2,4-diamine
CID 137417608

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649329) is 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(NCC(F)(F)c2ccccn2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is QEYYWXDITMHRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7/c19-18(20,15-3-1-2-7-22-15)10-23-16-12-5-4-11(13-6-8-24-27-13)9-14(12)25-17(21)26-16/h1-9H,10H2,(H,24,27)(H3,21,23,25,26).
What are the key properties of 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 367.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).