1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

C12H21N3OS — CID 65043291

IUPAC1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C12H21N3OS/c1-5-13-6-11(16)7-17-12-14-9(3)8(2)10(4)15-12/h11,13,16H,5-7H2,1-4H3
InChIKeyVAKLGNDPOQSJKJ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.46
Rot. Bonds6

About 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (PubChem CID 65043291) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
PubChem CID65043291
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C12H21N3OS/c1-5-13-6-11(16)7-17-12-14-9(3)8(2)10(4)15-12/h11,13,16H,5-7H2,1-4H3
InChIKeyVAKLGNDPOQSJKJ-UHFFFAOYSA-N
XLogP1.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65043787
N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65043117
1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 60892013
1-(1-methoxypropan-2-yloxy)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 106992487
N-tert-butyl-2-methyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65043267
3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 65041207
2-(3-bromo-2-methylpropyl)sulfanyl-4,5,6-trimethylpyrimidine
CID 65038550
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 104755844
4,5,6-trimethyl-2-propylsulfanylpyrimidine
CID 90393527
1-cyclopropyl-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65040912
1-(3-aminophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanol
CID 65038506
1-(2-methoxyethylamino)-3-(4-methylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 113317871

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (CID 65043291) is 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is CCNCC(O)CSc1nc(C)c(C)c(C)n1.
What is the InChIKey of 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The InChIKey is VAKLGNDPOQSJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-13-6-11(16)7-17-12-14-9(3)8(2)10(4)15-12/h11,13,16H,5-7H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol has a molecular weight of 255.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 65043291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).