N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H17FN4O — CID 110914207

IUPACN-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1ccc(Oc2cc(CNC3=NCCCN3)ccn2)cc1
InChIInChI=1S/C16H17FN4O/c17-13-2-4-14(5-3-13)22-15-10-12(6-9-18-15)11-21-16-19-7-1-8-20-16/h2-6,9-10H,1,7-8,11H2,(H2,19,20,21)
InChIKeyJFVSEAKLCMBILO-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.45
Rot. Bonds4

About N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110914207) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110914207
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1ccc(Oc2cc(CNC3=NCCCN3)ccn2)cc1
InChIInChI=1S/C16H17FN4O/c17-13-2-4-14(5-3-13)22-15-10-12(6-9-18-15)11-21-16-19-7-1-8-20-16/h2-6,9-10H,1,7-8,11H2,(H2,19,20,21)
InChIKeyJFVSEAKLCMBILO-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-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916233
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914658
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111110782
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918435
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112951
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine
CID 133409971
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112950
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112763
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110914207) is N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Fc1ccc(Oc2cc(CNC3=NCCCN3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is JFVSEAKLCMBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-2-4-14(5-3-13)22-15-10-12(6-9-18-15)11-21-16-19-7-1-8-20-16/h2-6,9-10H,1,7-8,11H2,(H2,19,20,21).
What are the key properties of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[2-(4-fluorophenoxy)-4-pyridinyl]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-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110914207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).