4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

C14H17Cl2N5 — CID 112887254

IUPAC4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-21(2)9-8-18-14-17-7-6-12(20-14)19-11-5-3-4-10(15)13(11)16/h3-7H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyYWTOXLHQABSWQJ-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.50
Rot. Bonds6

About 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine

4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 112887254) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID112887254
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-21(2)9-8-18-14-17-7-6-12(20-14)19-11-5-3-4-10(15)13(11)16/h3-7H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyYWTOXLHQABSWQJ-UHFFFAOYSA-N
XLogP3.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101
4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894660
4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887176
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
methyl 2-[[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 112887223
2-N-(2,3-dichlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyrimidine-2,4-diamine
CID 112906065
5-N-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112944991
2-N-(2,3-dichlorophenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904571
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913041

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 112887254) is 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is CN(C)CCNc1nccc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is YWTOXLHQABSWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-21(2)9-8-18-14-17-7-6-12(20-14)19-11-5-3-4-10(15)13(11)16/h3-7H,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine has a molecular weight of 326.23 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112887254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).