4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

C13H14Cl2N4 — CID 80765341

IUPAC4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4/c1-7-6-17-13(16)19-12(7)18-8(2)10-4-3-9(14)5-11(10)15/h3-6,8H,1-2H3,(H3,16,17,18,19)
InChIKeyCSDBYLSEEDRDPW-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.85
Rot. Bonds3

About 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80765341) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80765341
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N4/c1-7-6-17-13(16)19-12(7)18-8(2)10-4-3-9(14)5-11(10)15/h3-6,8H,1-2H3,(H3,16,17,18,19)
InChIKeyCSDBYLSEEDRDPW-UHFFFAOYSA-N
XLogP3.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801728
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 167565538
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932264
5-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781986
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
2-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554408

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 80765341) is 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is CSDBYLSEEDRDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-7-6-17-13(16)19-12(7)18-8(2)10-4-3-9(14)5-11(10)15/h3-6,8H,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 297.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).