1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol

C14H26N4OS — CID 80851642

IUPAC1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCNc1cc(NCC(C)(O)CC(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4OS/c1-6-15-11-7-12(18-13(17-11)20-5)16-9-14(4,19)8-10(2)3/h7,10,19H,6,8-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyKZJPWCDQBNBIGU-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.84
Rot. Bonds8

About 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol

1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 80851642) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
PubChem CID80851642
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
SMILESCCNc1cc(NCC(C)(O)CC(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4OS/c1-6-15-11-7-12(18-13(17-11)20-5)16-9-14(4,19)8-10(2)3/h7,10,19H,6,8-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyKZJPWCDQBNBIGU-UHFFFAOYSA-N
XLogP2.84
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80547202
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80850995
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-2-ol
CID 113493058
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80860112
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150416

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol (CID 80851642) is 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol is CCNc1cc(NCC(C)(O)CC(C)C)nc(SC)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is KZJPWCDQBNBIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-6-15-11-7-12(18-13(17-11)20-5)16-9-14(4,19)8-10(2)3/h7,10,19H,6,8-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol?
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 298.46 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80851642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).