N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine

C12H13FN4 — CID 117212348

IUPACN'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C12H13FN4/c13-10-3-1-9(2-4-10)12-16-7-11(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2
InChIKeyYLSUQWCWQHDLJI-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.65
Rot. Bonds4

About N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine

N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117212348) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117212348
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C12H13FN4/c13-10-3-1-9(2-4-10)12-16-7-11(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2
InChIKeyYLSUQWCWQHDLJI-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350
N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212334
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 136934611
N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine
CID 84649652
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373
2-(4-fluorophenyl)pyrimidin-5-ol
CID 15095345
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210594
5-(4-tert-butylphenyl)-2-(4-fluorophenyl)pyrimidine
CID 101484197
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82479379

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117212348) is N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is YLSUQWCWQHDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-10-3-1-9(2-4-10)12-16-7-11(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2.
What are the key properties of N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 232.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117212348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).