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

C13H16N4 — CID 82473894

IUPACN'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2cc(NCCN)ncn2)cc1
InChIInChI=1S/C13H16N4/c1-10-2-4-11(5-3-10)12-8-13(15-7-6-14)17-9-16-12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyNKTVXFDZUZNGGZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.82
Rot. Bonds4

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

N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 82473894) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID82473894
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2cc(NCCN)ncn2)cc1
InChIInChI=1S/C13H16N4/c1-10-2-4-11(5-3-10)12-8-13(15-7-6-14)17-9-16-12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyNKTVXFDZUZNGGZ-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637
N'-[6-(2,4-dimethylphenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191427
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
N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 126848576
6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
CID 116506983
[6-[2-(4-methylphenyl)ethylamino]pyrimidin-4-yl]cyanamide
CID 115264702
N-methyl-1-[6-(4-methylphenyl)pyrimidin-4-yl]methanamine
CID 83849028
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 82484902

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine (CID 82473894) is N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine is Cc1ccc(-c2cc(NCCN)ncn2)cc1.
What is the InChIKey of N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is NKTVXFDZUZNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-2-4-11(5-3-10)12-8-13(15-7-6-14)17-9-16-12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17).
What are the key properties of N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine?
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 228.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 82473894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).