4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

C16H20Cl2N4 — CID 112901361

IUPAC4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H20Cl2N4/c1-3-10-22(11-4-2)16-19-9-8-14(21-16)20-15-12(17)6-5-7-13(15)18/h5-9H,3-4,10-11H2,1-2H3,(H,19,20,21)
InChIKeyWRRTVPSNMFRFIK-UHFFFAOYSA-N
MW339.27 g/mol
LogP5.15
Rot. Bonds7

About 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112901361) has the molecular formula C16H20Cl2N4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID112901361
Molecular FormulaC16H20Cl2N4
Molecular Weight339.27 g/mol
Exact Mass338.11
IUPAC Name4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nccc(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H20Cl2N4/c1-3-10-22(11-4-2)16-19-9-8-14(21-16)20-15-12(17)6-5-7-13(15)18/h5-9H,3-4,10-11H2,1-2H3,(H,19,20,21)
InChIKeyWRRTVPSNMFRFIK-UHFFFAOYSA-N
XLogP5.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.27
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901298
4-N-[7-(2,6-dichlorophenyl)isoquinolin-3-yl]-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 129170208
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
2-N,2-N-dipropyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901322
4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901279
4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112882540
4-ethyl-N,N-dipropylpyrimidin-2-amine
CID 71106821
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901347
2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899170
2-N-(4-chlorophenyl)-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112903842
N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 109310804
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 112901361) is 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1nccc(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is WRRTVPSNMFRFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4/c1-3-10-22(11-4-2)16-19-9-8-14(21-16)20-15-12(17)6-5-7-13(15)18/h5-9H,3-4,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 339.27 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dichlorophenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).