N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine

C13H15ClN4 — CID 117212352

IUPACN'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1nc(-c2ccc(Cl)cc2)ncc1NCCN
InChIInChI=1S/C13H15ClN4/c1-9-12(16-7-6-15)8-17-13(18-9)10-2-4-11(14)5-3-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyKVYQJWCPJAJVGZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.48
Rot. Bonds4

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

N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117212352) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117212352
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC NameN'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1nc(-c2ccc(Cl)cc2)ncc1NCCN
InChIInChI=1S/C13H15ClN4/c1-9-12(16-7-6-15)8-17-13(18-9)10-2-4-11(14)5-3-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyKVYQJWCPJAJVGZ-UHFFFAOYSA-N
XLogP2.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine (CID 117212352) is N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine is Cc1nc(-c2ccc(Cl)cc2)ncc1NCCN.
What is the InChIKey of N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is KVYQJWCPJAJVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9-12(16-7-6-15)8-17-13(18-9)10-2-4-11(14)5-3-10/h2-5,8,16H,6-7,15H2,1H3.
What are the key properties of N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 262.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117212352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).