2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

C15H19Cl2N5 — CID 67280857

IUPAC2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCc1cnc(Nc2c(Cl)cccc2Cl)nc1N
InChIInChI=1S/C15H19Cl2N5/c1-22(2)8-4-5-10-9-19-15(21-14(10)18)20-13-11(16)6-3-7-12(13)17/h3,6-7,9H,4-5,8H2,1-2H3,(H3,18,19,20,21)
InChIKeyXGTFJYLMNZTCIL-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.60
Rot. Bonds6

About 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine

2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (PubChem CID 67280857) has the molecular formula C15H19Cl2N5 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
PubChem CID67280857
Molecular FormulaC15H19Cl2N5
Molecular Weight340.26 g/mol
Exact Mass339.10
IUPAC Name2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCc1cnc(Nc2c(Cl)cccc2Cl)nc1N
InChIInChI=1S/C15H19Cl2N5/c1-22(2)8-4-5-10-9-19-15(21-14(10)18)20-13-11(16)6-3-7-12(13)17/h3,6-7,9H,4-5,8H2,1-2H3,(H3,18,19,20,21)
InChIKeyXGTFJYLMNZTCIL-UHFFFAOYSA-N
XLogP3.60
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 67280661
5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 67281260
5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 66904290
5-[2-(dimethylamino)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 66904138
5-[2-(dimethylamino)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 66904370
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254
4-N-(2,6-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80847427
5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 69477027
2-N-(2,6-dichlorophenyl)-4-N,4-N-diethylpyrimidine-2,4-diamine
CID 112899170
5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 69475667
2-N-(3,4-dichlorophenyl)-6-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine
CID 21077383
N-(5-chloropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79555337

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (CID 67280857) is 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is CN(C)CCCc1cnc(Nc2c(Cl)cccc2Cl)nc1N.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The InChIKey is XGTFJYLMNZTCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5/c1-22(2)8-4-5-10-9-19-15(21-14(10)18)20-13-11(16)6-3-7-12(13)17/h3,6-7,9H,4-5,8H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine has a molecular weight of 340.26 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67280857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).