2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H14FN3O2 — CID 79438693

IUPAC2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CNC2CC2)nc(O)c1-c1ccccc1F
InChIInChI=1S/C14H14FN3O2/c15-10-4-2-1-3-9(10)12-13(19)17-11(18-14(12)20)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H2,17,18,19,20)
InChIKeyXAMHTRGPIWDVNF-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.53
Rot. Bonds4

About 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79438693) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79438693
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CNC2CC2)nc(O)c1-c1ccccc1F
InChIInChI=1S/C14H14FN3O2/c15-10-4-2-1-3-9(10)12-13(19)17-11(18-14(12)20)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H2,17,18,19,20)
InChIKeyXAMHTRGPIWDVNF-UHFFFAOYSA-N
XLogP1.53
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79438693) is 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(CNC2CC2)nc(O)c1-c1ccccc1F.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XAMHTRGPIWDVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-4-2-1-3-9(10)12-13(19)17-11(18-14(12)20)7-16-8-5-6-8/h1-4,8,16H,5-7H2,(H2,17,18,19,20).
What are the key properties of 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 275.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79438693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).