N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine

C14H17ClN4 — CID 117212076

IUPACN'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine
SMILESCCc1nc(-c2cccc(Cl)c2)ncc1NCCN
InChIInChI=1S/C14H17ClN4/c1-2-12-13(17-7-6-16)9-18-14(19-12)10-4-3-5-11(15)8-10/h3-5,8-9,17H,2,6-7,16H2,1H3
InChIKeyJLDLOXCLBDVVIG-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.73
Rot. Bonds5

About N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine

N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117212076) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117212076
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine
SMILESCCc1nc(-c2cccc(Cl)c2)ncc1NCCN
InChIInChI=1S/C14H17ClN4/c1-2-12-13(17-7-6-16)9-18-14(19-12)10-4-3-5-11(15)8-10/h3-5,8-9,17H,2,6-7,16H2,1H3
InChIKeyJLDLOXCLBDVVIG-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(3-chlorophenyl)-2-ethylpyrimidin-5-yl]propane-1,3-diamine
CID 117211767
N'-[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212352
N'-[4-(3-chlorophenyl)-2-methylpyrimidin-5-yl]propane-1,3-diamine
CID 117211122
5-(3-aminopropylamino)-6-(3-chlorophenyl)-1H-pyrimidin-2-one
CID 117211126
N'-[5-(3-chlorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224110
2-(3-chlorophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63561739
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211444
N'-[4-(3-chlorophenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117211119
5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66302245
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine (CID 117212076) is N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine is CCc1nc(-c2cccc(Cl)c2)ncc1NCCN.
What is the InChIKey of N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is JLDLOXCLBDVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-2-12-13(17-7-6-16)9-18-14(19-12)10-4-3-5-11(15)8-10/h3-5,8-9,17H,2,6-7,16H2,1H3.
What are the key properties of N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 276.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenyl)-4-ethylpyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117212076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).