3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol

C14H14F2N6O — CID 154649281

IUPAC3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESNc1nc(NCC(F)(F)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H14F2N6O/c15-14(16,7-23)6-18-12-9-2-1-8(10-3-4-19-22-10)5-11(9)20-13(17)21-12/h1-5,23H,6-7H2,(H,19,22)(H3,17,18,20,21)
InChIKeyAYKSQBFJZAYLPA-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.64
Rot. Bonds5

About 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol

3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 154649281) has the molecular formula C14H14F2N6O and a molecular weight of 320.30 g/mol. Its IUPAC name is 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID154649281
Molecular FormulaC14H14F2N6O
Molecular Weight320.30 g/mol
Exact Mass320.12
IUPAC Name3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESNc1nc(NCC(F)(F)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H14F2N6O/c15-14(16,7-23)6-18-12-9-2-1-8(10-3-4-19-22-10)5-11(9)20-13(17)21-12/h1-5,23H,6-7H2,(H,19,22)(H3,17,18,20,21)
InChIKeyAYKSQBFJZAYLPA-UHFFFAOYSA-N
XLogP1.64
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol (CID 154649281) is 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol is Nc1nc(NCC(F)(F)CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is AYKSQBFJZAYLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6O/c15-14(16,7-23)6-18-12-9-2-1-8(10-3-4-19-22-10)5-11(9)20-13(17)21-12/h1-5,23H,6-7H2,(H,19,22)(H3,17,18,20,21).
What are the key properties of 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol?
3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 320.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 154649281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).