[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol

C8H13N3OS — CID 130836029

IUPAC[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
SMILESCCSc1ncc(CO)c(NC)n1
InChIInChI=1S/C8H13N3OS/c1-3-13-8-10-4-6(5-12)7(9-2)11-8/h4,12H,3,5H2,1-2H3,(H,9,10,11)
InChIKeySMGBPGBADNSAPY-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.12
Rot. Bonds4

About [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol

[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol (PubChem CID 130836029) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
PubChem CID130836029
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
SMILESCCSc1ncc(CO)c(NC)n1
InChIInChI=1S/C8H13N3OS/c1-3-13-8-10-4-6(5-12)7(9-2)11-8/h4,12H,3,5H2,1-2H3,(H,9,10,11)
InChIKeySMGBPGBADNSAPY-UHFFFAOYSA-N
XLogP1.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 173112578
CID 173112578
[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 10656911
(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 59681451
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
[4-[(3-amino-2-methylpropyl)amino]-2-methylsulfanylpyrimidin-5-yl]methanol;ethane
CID 164925715
4,6-bis(ethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 70472300
[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905124
(2-ethylsulfanylpyrimidin-4-yl)methanol
CID 119091737
5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171500496
3-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]-2-methylcyclohexan-1-ol
CID 138457357
[5-(methylamino)-3-methylsulfanyl-1,2,4-triazin-6-yl]methanol
CID 142172612
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol?
The IUPAC name of [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol (CID 130836029) is [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol is CCSc1ncc(CO)c(NC)n1.
What is the InChIKey of [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol?
The InChIKey is SMGBPGBADNSAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-13-8-10-4-6(5-12)7(9-2)11-8/h4,12H,3,5H2,1-2H3,(H,9,10,11).
What are the key properties of [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol?
[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol has a molecular weight of 199.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 130836029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).