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

C13H15FN4 — CID 82479379

IUPACN'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(NCCN)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-9-17-12(8-13(18-9)16-7-6-15)10-2-4-11(14)5-3-10/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyYSQAENWLXXNGLW-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.96
Rot. Bonds4

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

N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 82479379) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
PubChem CID82479379
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(NCCN)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-9-17-12(8-13(18-9)16-7-6-15)10-2-4-11(14)5-3-10/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyYSQAENWLXXNGLW-UHFFFAOYSA-N
XLogP1.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-methyl-6-(4-propan-2-ylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 96667770
[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
CID 28908693
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 99980166
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 99980110
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 78076645
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine (CID 82479379) is N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine is Cc1nc(NCCN)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is YSQAENWLXXNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9-17-12(8-13(18-9)16-7-6-15)10-2-4-11(14)5-3-10/h2-5,8H,6-7,15H2,1H3,(H,16,17,18).
What are the key properties of N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine?
N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 246.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 82479379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).