N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C14H16FN5O — CID 122095690

IUPACN-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C14H16FN5O/c1-20-7-3-6-16-14(20)17-9-12-18-13(19-21-12)10-4-2-5-11(15)8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyKAPVXKPYCITUEM-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.66
Rot. Bonds3

About N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122095690) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122095690
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC NameN-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C14H16FN5O/c1-20-7-3-6-16-14(20)17-9-12-18-13(19-21-12)10-4-2-5-11(15)8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyKAPVXKPYCITUEM-UHFFFAOYSA-N
XLogP1.66
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122095690) is N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCc1nc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is KAPVXKPYCITUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-20-7-3-6-16-14(20)17-9-12-18-13(19-21-12)10-4-2-5-11(15)8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 289.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122095690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).