N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine

C13H15FN4 — CID 82479380

IUPACN'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1cc(-c2cc(NCCN)ncn2)ccc1F
InChIInChI=1S/C13H15FN4/c1-9-6-10(2-3-11(9)14)12-7-13(16-5-4-15)18-8-17-12/h2-3,6-8H,4-5,15H2,1H3,(H,16,17,18)
InChIKeyPNMMSDWJRJQIJA-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.96
Rot. Bonds4

About N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine

N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 82479380) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID82479380
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1cc(-c2cc(NCCN)ncn2)ccc1F
InChIInChI=1S/C13H15FN4/c1-9-6-10(2-3-11(9)14)12-7-13(16-5-4-15)18-8-17-12/h2-3,6-8H,4-5,15H2,1H3,(H,16,17,18)
InChIKeyPNMMSDWJRJQIJA-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'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894
N-[3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]propyl]acetamide
CID 160567030
6-(4-fluoro-3-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857699
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine
CID 83849216
N-[(2R)-3-[[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]amino]-2-methylpropyl]acetamide
CID 147549807
3-[[6-(4-fluoro-3-methylphenyl)pyridazin-3-yl]amino]propanenitrile
CID 116971924
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
CID 156760110
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82479379
tert-butyl N-[2-[2-(3-aminopropyl)-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]ethyl]carbamate
CID 144795636
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine (CID 82479380) is N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine is Cc1cc(-c2cc(NCCN)ncn2)ccc1F.
What is the InChIKey of N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is PNMMSDWJRJQIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9-6-10(2-3-11(9)14)12-7-13(16-5-4-15)18-8-17-12/h2-3,6-8H,4-5,15H2,1H3,(H,16,17,18).
What are the key properties of N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-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-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 82479380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).