4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C16H22N4 — CID 80977275

IUPAC4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C16H22N4/c1-6-14-19-15(17-5)12(4)16(20-14)18-13-9-10(2)7-8-11(13)3/h7-9H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyGDTPORBESRCLMY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.75
Rot. Bonds4

About 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80977275) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80977275
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C16H22N4/c1-6-14-19-15(17-5)12(4)16(20-14)18-13-9-10(2)7-8-11(13)3/h7-9H,6H2,1-5H3,(H2,17,18,19,20)
InChIKeyGDTPORBESRCLMY-UHFFFAOYSA-N
XLogP3.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
4-N-(2-chloro-4-methylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976266
4-N-(2,4-dimethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977022
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
5-N-(2,5-dimethylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 548996
2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80977184
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
N-(2-chloro-4-methylphenyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006005
4-N-[3-(dimethylamino)phenyl]-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 115379613
2-ethyl-6-hydrazinyl-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 81006724
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
6-chloro-2-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 80974359

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80977275) is 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(Nc2cc(C)ccc2C)n1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is GDTPORBESRCLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-6-14-19-15(17-5)12(4)16(20-14)18-13-9-10(2)7-8-11(13)3/h7-9H,6H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80977275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).