6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

C16H22N4 — CID 80755254

IUPAC6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cccc(C)c2)c1C(C)C
InChIInChI=1S/C16H22N4/c1-5-17-15-14(11(2)3)16(19-10-18-15)20-13-8-6-7-12(4)9-13/h6-11H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyOEWGNJLSILFMND-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.08
Rot. Bonds5

About 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80755254) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80755254
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2cccc(C)c2)c1C(C)C
InChIInChI=1S/C16H22N4/c1-5-17-15-14(11(2)3)16(19-10-18-15)20-13-8-6-7-12(4)9-13/h6-11H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyOEWGNJLSILFMND-UHFFFAOYSA-N
XLogP4.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-(3-methylsulfanylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767948
4-N-(3-bromo-5-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580873
4-N-(3-bromophenyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80737681
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80738260
4-N-(4-bromo-2-methylphenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80748618
6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295223
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80790328
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80755254) is 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(Nc2cccc(C)c2)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is OEWGNJLSILFMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-17-15-14(11(2)3)16(19-10-18-15)20-13-8-6-7-12(4)9-13/h6-11H,5H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80755254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).