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

C14H17Cl2N5 — CID 112887250

IUPAC4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nccc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-21(2)8-7-18-14-17-6-5-13(20-14)19-12-4-3-10(15)9-11(12)16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeySUCYFOJGZXKZOK-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.50
Rot. Bonds6

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

4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (PubChem CID 112887250) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
PubChem CID112887250
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)CCNc1nccc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H17Cl2N5/c1-21(2)8-7-18-14-17-6-5-13(20-14)19-12-4-3-10(15)9-11(12)16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeySUCYFOJGZXKZOK-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-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
2-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887000
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
4-N-tert-butyl-2-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899779
4-N-(2,4-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887881
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
4-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887176
2-N-(2,5-dichlorophenyl)-4-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 91447813
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-(2,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167767

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine (CID 112887250) is 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is CN(C)CCNc1nccc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
The InChIKey is SUCYFOJGZXKZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c1-21(2)8-7-18-14-17-6-5-13(20-14)19-12-4-3-10(15)9-11(12)16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine?
4-N-(2,4-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-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112887250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).