N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H17FN4O — CID 110918435

IUPACN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1cc(CNC2=NCCCN2)ccc1Oc1cccnc1
InChIInChI=1S/C16H17FN4O/c17-14-9-12(10-21-16-19-7-2-8-20-16)4-5-15(14)22-13-3-1-6-18-11-13/h1,3-6,9,11H,2,7-8,10H2,(H2,19,20,21)
InChIKeyIAAFFBKNYBHKKM-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.45
Rot. Bonds4

About N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110918435) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110918435
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1cc(CNC2=NCCCN2)ccc1Oc1cccnc1
InChIInChI=1S/C16H17FN4O/c17-14-9-12(10-21-16-19-7-2-8-20-16)4-5-15(14)22-13-3-1-6-18-11-13/h1,3-6,9,11H,2,7-8,10H2,(H2,19,20,21)
InChIKeyIAAFFBKNYBHKKM-UHFFFAOYSA-N
XLogP2.45
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
CID 133274441
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111110782
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601420
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119864556
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914207
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916050
methyl 2-methoxy-5-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzoate;hydroiodide
CID 110930085

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110918435) is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Fc1cc(CNC2=NCCCN2)ccc1Oc1cccnc1.
What is the InChIKey of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is IAAFFBKNYBHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-14-9-12(10-21-16-19-7-2-8-20-16)4-5-15(14)22-13-3-1-6-18-11-13/h1,3-6,9,11H,2,7-8,10H2,(H2,19,20,21).
What are the key properties of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 300.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110918435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).