[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol

C14H15F2N3O2 — CID 133398979

IUPAC[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2nc(C(F)F)nc3ccccc23)COC1
InChIInChI=1S/C14H15F2N3O2/c15-11(16)13-18-10-4-2-1-3-9(10)12(19-13)17-5-14(6-20)7-21-8-14/h1-4,11,20H,5-8H2,(H,17,18,19)
InChIKeyLYPBSOOFVUUXRX-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.99
Rot. Bonds5

About [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol

[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 133398979) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol
PubChem CID133398979
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2nc(C(F)F)nc3ccccc23)COC1
InChIInChI=1S/C14H15F2N3O2/c15-11(16)13-18-10-4-2-1-3-9(10)12(19-13)17-5-14(6-20)7-21-8-14/h1-4,11,20H,5-8H2,(H,17,18,19)
InChIKeyLYPBSOOFVUUXRX-UHFFFAOYSA-N
XLogP1.99
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
CID 133399873
4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-2-phenylbutan-2-ol
CID 133495767
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646
2-[2-[[2-(difluoromethyl)quinazolin-4-yl]amino]cyclopentyl]ethanol
CID 133496325
2-[3-[[2-(difluoromethyl)quinazolin-4-yl]amino]propyl]cyclohexan-1-ol
CID 133385042
N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
CID 133362263
2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide
CID 133367596
1-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 56574079
[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol
CID 115248843
2-(difluoromethyl)-N-(2,2,5,5-tetramethyloxolan-3-yl)quinazolin-4-amine
CID 133439557
4-[[2-(difluoromethyl)quinazolin-4-yl]amino]-4-methylpentanoic acid
CID 122059166
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723

Frequently Asked Questions

What is the IUPAC name of [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol (CID 133398979) is [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol is OCC1(CNc2nc(C(F)F)nc3ccccc23)COC1.
What is the InChIKey of [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is LYPBSOOFVUUXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-11(16)13-18-10-4-2-1-3-9(10)12(19-13)17-5-14(6-20)7-21-8-14/h1-4,11,20H,5-8H2,(H,17,18,19).
What are the key properties of [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol?
[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 295.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 133398979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).