4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine

C12H12Cl2N4 — CID 80769140

IUPAC4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4/c1-2-8-11(15)16-6-17-12(8)18-7-3-4-9(13)10(14)5-7/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyVMGGVUBJEWXBBB-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.67
Rot. Bonds3

About 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine

4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 80769140) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID80769140
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4/c1-2-8-11(15)16-6-17-12(8)18-7-3-4-9(13)10(14)5-7/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyVMGGVUBJEWXBBB-UHFFFAOYSA-N
XLogP3.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-4,6-diamine
CID 114049792
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80768345
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80760702
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
4-N-(1,3-benzodioxol-5-yl)-5-ethylpyrimidine-4,6-diamine
CID 80759767
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80763195

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine (CID 80769140) is 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is VMGGVUBJEWXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-2-8-11(15)16-6-17-12(8)18-7-3-4-9(13)10(14)5-7/h3-6H,2H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).