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

C12H13ClN4 — CID 117211188

IUPACN'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cncnc1-c1ccccc1Cl
InChIInChI=1S/C12H13ClN4/c13-10-4-2-1-3-9(10)12-11(16-6-5-14)7-15-8-17-12/h1-4,7-8,16H,5-6,14H2
InChIKeyYVGUSNPPCBVDKT-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.17
Rot. Bonds4

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

N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117211188) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117211188
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC NameN'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cncnc1-c1ccccc1Cl
InChIInChI=1S/C12H13ClN4/c13-10-4-2-1-3-9(10)12-11(16-6-5-14)7-15-8-17-12/h1-4,7-8,16H,5-6,14H2
InChIKeyYVGUSNPPCBVDKT-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminoethylamino)pyrimidin-4-yl]phenol
CID 136934491
[4-(2-chlorophenyl)pyrimidin-5-yl]methanamine
CID 105475068
N'-[4-(2-chlorophenyl)-2-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211824
5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
N'-[4-(3-chlorophenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117211119
N'-[4-(2-chlorophenyl)-2-cyclopropylpyrimidin-5-yl]propane-1,3-diamine
CID 117211859
N'-[2-(2-chlorophenyl)-4-cyclobutylpyrimidin-5-yl]ethane-1,2-diamine
CID 117211524
N'-[5-(2-chlorophenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 117224166
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
CID 136934549
N'-[1-(2-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210869
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
CID 105462517
5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
CID 130088704

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine (CID 117211188) is N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1cncnc1-c1ccccc1Cl.
What is the InChIKey of N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is YVGUSNPPCBVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-10-4-2-1-3-9(10)12-11(16-6-5-14)7-15-8-17-12/h1-4,7-8,16H,5-6,14H2.
What are the key properties of N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine?
N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 248.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-chlorophenyl)pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117211188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).