2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C13H15FN4O — CID 80828045

IUPAC2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESNc1ncc(F)c(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C13H15FN4O/c14-11-7-16-13(15)18-12(11)17-10(8-19)6-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8H2,(H3,15,16,17,18)
InChIKeyJLIQZUZUGDVXSQ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.21
Rot. Bonds5

About 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 80828045) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID80828045
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESNc1ncc(F)c(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C13H15FN4O/c14-11-7-16-13(15)18-12(11)17-10(8-19)6-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8H2,(H3,15,16,17,18)
InChIKeyJLIQZUZUGDVXSQ-UHFFFAOYSA-N
XLogP1.21
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 80828045) is 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol is Nc1ncc(F)c(NC(CO)Cc2ccccc2)n1.
What is the InChIKey of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is JLIQZUZUGDVXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-7-16-13(15)18-12(11)17-10(8-19)6-9-4-2-1-3-5-9/h1-5,7,10,19H,6,8H2,(H3,15,16,17,18).
What are the key properties of 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 262.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 80828045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).