2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C14H16Cl2N4 — CID 133382451

IUPAC2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N(C)C)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4/c1-9(10-4-5-11(15)12(16)8-10)18-14-17-7-6-13(19-14)20(2)3/h4-9H,1-3H3,(H,17,18,19)
InChIKeyUTPUXVGKFMNBQI-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.02
Rot. Bonds4

About 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 133382451) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID133382451
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N(C)C)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4/c1-9(10-4-5-11(15)12(16)8-10)18-14-17-7-6-13(19-14)20(2)3/h4-9H,1-3H3,(H,17,18,19)
InChIKeyUTPUXVGKFMNBQI-UHFFFAOYSA-N
XLogP4.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol
CID 133445099
(4S)-3-[2-[1-(3,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479370
3-(2,6-dichlorophenyl)-1-[3-(dimethylamino)phenyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]urea
CID 69211560
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
3-(2,6-dichlorophenyl)-1-[4-(dimethylamino)phenyl]-1-[2-(1-phenylethylamino)pyrimidin-4-yl]urea
CID 69210207
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
3,4-dichloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026777

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 133382451) is 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CC(Nc1nccc(N(C)C)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is UTPUXVGKFMNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-9(10-4-5-11(15)12(16)8-10)18-14-17-7-6-13(19-14)20(2)3/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133382451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).