4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine

C12H13Cl2N5 — CID 80768233

IUPAC4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-16-10-6-11(19-12(15)18-10)17-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H4,15,16,17,18,19)
InChIKeyKSUWRHRKOGTUCU-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.54
Rot. Bonds4

About 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine

4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80768233) has the molecular formula C12H13Cl2N5 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80768233
Molecular FormulaC12H13Cl2N5
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-16-10-6-11(19-12(15)18-10)17-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H4,15,16,17,18,19)
InChIKeyKSUWRHRKOGTUCU-UHFFFAOYSA-N
XLogP3.54
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107795039
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
2-tert-butyl-4-N-(4-chlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956206
6-N-butyl-4-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868007
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine (CID 80768233) is 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(N)n1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is KSUWRHRKOGTUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5/c1-2-16-10-6-11(19-12(15)18-10)17-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 298.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80768233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).