N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine

C15H19FN4 — CID 102536508

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
SMILESCc1cc(C)nc(NCCNCc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-11-9-12(2)20-15(19-11)18-8-7-17-10-13-3-5-14(16)6-4-13/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19,20)
InChIKeyNRVLBPWEEJSUJN-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.43
Rot. Bonds6

About N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine

N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 102536508) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
PubChem CID102536508
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
SMILESCc1cc(C)nc(NCCNCc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-11-9-12(2)20-15(19-11)18-8-7-17-10-13-3-5-14(16)6-4-13/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19,20)
InChIKeyNRVLBPWEEJSUJN-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.43
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

N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 102536498
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 102536553
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-N-[(2-chlorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917471
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915799
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917530
4-N-(3,4-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917730

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine (CID 102536508) is N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine is Cc1cc(C)nc(NCCNCc2ccc(F)cc2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is NRVLBPWEEJSUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-11-9-12(2)20-15(19-11)18-8-7-17-10-13-3-5-14(16)6-4-13/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine?
N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102536508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).