N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine

C15H23FN4 — CID 82248809

IUPACN-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C15H23FN4/c1-20(2)11-5-10-17-13-7-3-6-12(16)14(13)15-18-8-4-9-19-15/h3,6-7,17H,4-5,8-11H2,1-2H3,(H,18,19)
InChIKeyRCNSFFJUUQVAEJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.93
Rot. Bonds6

About N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine

N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82248809) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID82248809
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC NameN-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C15H23FN4/c1-20(2)11-5-10-17-13-7-3-6-12(16)14(13)15-18-8-4-9-19-15/h3,6-7,17H,4-5,8-11H2,1-2H3,(H,18,19)
InChIKeyRCNSFFJUUQVAEJ-UHFFFAOYSA-N
XLogP1.93
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82250230
2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
CID 82249804
3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine
CID 86225752
N'-methyl-N'-phenyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;hydroiodide
CID 110914236
2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240269
3-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82246784
4-[3-(dimethylamino)propylamino]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 16721066

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine (CID 82248809) is N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cccc(F)c1C1=NCCCN1.
What is the InChIKey of N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is RCNSFFJUUQVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-20(2)11-5-10-17-13-7-3-6-12(16)14(13)15-18-8-4-9-19-15/h3,6-7,17H,4-5,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine?
N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 278.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82248809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).