(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol

C12H14FN3O2 — CID 95771271

IUPAC(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNc1ncnc2ccc(F)cc12
InChIInChI=1S/C12H14FN3O2/c1-18-6-9(17)5-14-12-10-4-8(13)2-3-11(10)15-7-16-12/h2-4,7,9,17H,5-6H2,1H3,(H,14,15,16)/t9-/m1/s1
InChIKeyAZABMSIXRLNAKK-SECBINFHSA-N
MW251.26 g/mol
LogP1.19
Rot. Bonds5

About (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol

(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol (PubChem CID 95771271) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol
PubChem CID95771271
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNc1ncnc2ccc(F)cc12
InChIInChI=1S/C12H14FN3O2/c1-18-6-9(17)5-14-12-10-4-8(13)2-3-11(10)15-7-16-12/h2-4,7,9,17H,5-6H2,1H3,(H,14,15,16)/t9-/m1/s1
InChIKeyAZABMSIXRLNAKK-SECBINFHSA-N
XLogP1.19
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol (CID 95771271) is (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol is COC[C@H](O)CNc1ncnc2ccc(F)cc12.
What is the InChIKey of (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is AZABMSIXRLNAKK-SECBINFHSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-18-6-9(17)5-14-12-10-4-8(13)2-3-11(10)15-7-16-12/h2-4,7,9,17H,5-6H2,1H3,(H,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol?
(2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 251.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-fluoroquinazolin-4-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 95771271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).