(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol

C9H15N3O2S — CID 59681451

IUPAC(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
SMILESCSc1ncc(CO)c(NC[C@@H](C)O)n1
InChIInChI=1S/C9H15N3O2S/c1-6(14)3-10-8-7(5-13)4-11-9(12-8)15-2/h4,6,13-14H,3,5H2,1-2H3,(H,10,11,12)/t6-/m1/s1
InChIKeyULLZNVCYZPFBKI-ZCFIWIBFSA-N
MW229.31 g/mol
LogP0.48
Rot. Bonds5

About (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol

(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol (PubChem CID 59681451) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
PubChem CID59681451
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
SMILESCSc1ncc(CO)c(NC[C@@H](C)O)n1
InChIInChI=1S/C9H15N3O2S/c1-6(14)3-10-8-7(5-13)4-11-9(12-8)15-2/h4,6,13-14H,3,5H2,1-2H3,(H,10,11,12)/t6-/m1/s1
InChIKeyULLZNVCYZPFBKI-ZCFIWIBFSA-N
XLogP0.48
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-amino-2-methylpropyl)amino]-2-methylsulfanylpyrimidin-5-yl]methanol;ethane
CID 164925715
[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 10656911
CID 173112578
CID 173112578
ethyl 4-[[(2S)-2-hydroxypropyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 59681435
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
4-(2,3-dihydroxypropylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 10728927
[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905124
3-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]-2-methylcyclohexan-1-ol
CID 138457357
[2-methylsulfanyl-4-[(3-nitrophenyl)methylamino]pyrimidin-5-yl]methanol
CID 90436902
5-[5-[[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]-2-pyridinyl]pyridine-3-sulfonamide
CID 167189818
5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 43418256
2-fluoro-3-[5-[[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]-2-pyridinyl]benzenesulfonamide
CID 167190020

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol (CID 59681451) is (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol is CSc1ncc(CO)c(NC[C@@H](C)O)n1.
What is the InChIKey of (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is ULLZNVCYZPFBKI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(14)3-10-8-7(5-13)4-11-9(12-8)15-2/h4,6,13-14H,3,5H2,1-2H3,(H,10,11,12)/t6-/m1/s1.
What are the key properties of (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol?
(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 229.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 59681451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).