4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine

C15H18Cl2N4 — CID 80829581

IUPAC4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N4/c1-3-6-10-14(18-4-2)19-9-20-15(10)21-13-11(16)7-5-8-12(13)17/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyJSDXDDJPWSSPOI-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.91
Rot. Bonds6

About 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine

4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80829581) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
PubChem CID80829581
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H18Cl2N4/c1-3-6-10-14(18-4-2)19-9-20-15(10)21-13-11(16)7-5-8-12(13)17/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyJSDXDDJPWSSPOI-UHFFFAOYSA-N
XLogP4.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
4-N-(2-bromo-6-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 107604672
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429
6-N-ethyl-4-N-(3-iodophenyl)-5-propylpyrimidine-4,6-diamine
CID 80763596
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(2-chloro-6-methylphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80832276
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (CID 80829581) is 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is JSDXDDJPWSSPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-3-6-10-14(18-4-2)19-9-20-15(10)21-13-11(16)7-5-8-12(13)17/h5,7-9H,3-4,6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 325.24 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80829581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).