1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol

C14H16FN3O — CID 133309866

IUPAC1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1ccnc(NC(C)C(O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-9-7-8-16-14(17-9)18-10(2)13(19)11-3-5-12(15)6-4-11/h3-8,10,13,19H,1-2H3,(H,16,17,18)
InChIKeyZVQAKJUECYTTEN-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol

1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 133309866) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID133309866
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1ccnc(NC(C)C(O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-9-7-8-16-14(17-9)18-10(2)13(19)11-3-5-12(15)6-4-11/h3-8,10,13,19H,1-2H3,(H,16,17,18)
InChIKeyZVQAKJUECYTTEN-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol (CID 133309866) is 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol is Cc1ccnc(NC(C)C(O)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is ZVQAKJUECYTTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-7-8-16-14(17-9)18-10(2)13(19)11-3-5-12(15)6-4-11/h3-8,10,13,19H,1-2H3,(H,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol?
1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 133309866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).