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

C17H24N4 — CID 80772452

IUPAC6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2ccccc2)c1C(C)C
InChIInChI=1S/C17H24N4/c1-4-18-16-15(13(2)3)17(21-12-20-16)19-11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyFCIABZXLJLZBHS-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.69
Rot. Bonds7

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

6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80772452) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80772452
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCc2ccccc2)c1C(C)C
InChIInChI=1S/C17H24N4/c1-4-18-16-15(13(2)3)17(21-12-20-16)19-11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,19,20,21)
InChIKeyFCIABZXLJLZBHS-UHFFFAOYSA-N
XLogP3.69
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
6-N-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106424272
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
CID 80787854
4-N,6-N-diethyl-4-N-phenyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80756958
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80826850
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80772452) is 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(NCCc2ccccc2)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is FCIABZXLJLZBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-18-16-15(13(2)3)17(21-12-20-16)19-11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.69, 7 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-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80772452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).