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

C13H24N4S — CID 80984018

IUPAC6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCCSC)c1C
InChIInChI=1S/C13H24N4S/c1-6-14-12-10(4)13(15-7-8-18-5)17-11(16-12)9(2)3/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyAGCTXFOPZXLWCD-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.12
Rot. Bonds7

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

6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80984018) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80984018
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)C)nc(NCCSC)c1C
InChIInChI=1S/C13H24N4S/c1-6-14-12-10(4)13(15-7-8-18-5)17-11(16-12)9(2)3/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyAGCTXFOPZXLWCD-UHFFFAOYSA-N
XLogP3.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80993004
6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106411949
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80984018) is 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1nc(C(C)C)nc(NCCSC)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is AGCTXFOPZXLWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-6-14-12-10(4)13(15-7-8-18-5)17-11(16-12)9(2)3/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 268.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).