N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C15H23FN4 — CID 111110782

IUPACN-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCN(CC)c1ccc(CNC2=NCCCN2)cc1F
InChIInChI=1S/C15H23FN4/c1-3-20(4-2)14-7-6-12(10-13(14)16)11-19-15-17-8-5-9-18-15/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyZHVJGSFMDMOKTH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.11
Rot. Bonds5

About N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 111110782) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID111110782
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCN(CC)c1ccc(CNC2=NCCCN2)cc1F
InChIInChI=1S/C15H23FN4/c1-3-20(4-2)14-7-6-12(10-13(14)16)11-19-15-17-8-5-9-18-15/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyZHVJGSFMDMOKTH-UHFFFAOYSA-N
XLogP2.11
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914500
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601420
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918426
2-ethoxy-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110935572
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918435
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
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
2,6-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenol
CID 110927318
3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzamide
CID 119112709

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 111110782) is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CCN(CC)c1ccc(CNC2=NCCCN2)cc1F.
What is the InChIKey of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is ZHVJGSFMDMOKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-3-20(4-2)14-7-6-12(10-13(14)16)11-19-15-17-8-5-9-18-15/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,17,18,19).
What are the key properties of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 111110782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).