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

C12H13FN4 — CID 117212334

IUPACN'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C12H13FN4/c13-11-4-2-1-3-10(11)12-16-7-9(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2
InChIKeyMGAOKUKWNWCGEQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.65
Rot. Bonds4

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

N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117212334) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117212334
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2ccccc2F)nc1
InChIInChI=1S/C12H13FN4/c13-11-4-2-1-3-10(11)12-16-7-9(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2
InChIKeyMGAOKUKWNWCGEQ-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

2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 136934611
N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212348
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212394
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350
N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine
CID 84649652
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
2-(2-fluorophenyl)-N-phenylpyrimidine-5-carboxamide
CID 16666417
2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyethanol
CID 117230582
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373
N'-[4-methyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212333
ethane;N'-phenylethane-1,2-diamine
CID 91048519
2-[2-(2-fluorophenyl)pyrimidin-5-yl]oxyacetic acid
CID 117229820

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117212334) is N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1cnc(-c2ccccc2F)nc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is MGAOKUKWNWCGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-11-4-2-1-3-10(11)12-16-7-9(8-17-12)15-6-5-14/h1-4,7-8,15H,5-6,14H2.
What are the key properties of N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(2-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-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117212334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).