[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol

C10H17N3OS — CID 10656911

IUPAC[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCCCCNc1nc(SC)ncc1CO
InChIInChI=1S/C10H17N3OS/c1-3-4-5-11-9-8(7-14)6-12-10(13-9)15-2/h6,14H,3-5,7H2,1-2H3,(H,11,12,13)
InChIKeyNCGUHAXXAFATAT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.90
Rot. Bonds6

About [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol

[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol (PubChem CID 10656911) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
PubChem CID10656911
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCCCCNc1nc(SC)ncc1CO
InChIInChI=1S/C10H17N3OS/c1-3-4-5-11-9-8(7-14)6-12-10(13-9)15-2/h6,14H,3-5,7H2,1-2H3,(H,11,12,13)
InChIKeyNCGUHAXXAFATAT-UHFFFAOYSA-N
XLogP1.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.90
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

(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 59681451
CID 173112578
CID 173112578
ethyl 4-(butylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 10563922
[4-[(3-amino-2-methylpropyl)amino]-2-methylsulfanylpyrimidin-5-yl]methanol;ethane
CID 164925715
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
CID 10681947
[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905124
[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
CID 130836029
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
tert-butyl 4-[2-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]-3-oxopiperazine-1-carboxylate
CID 170985074
N-butyl-1-tert-butyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 142715263
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752

Frequently Asked Questions

What is the IUPAC name of [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol (CID 10656911) is [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol is CCCCNc1nc(SC)ncc1CO.
What is the InChIKey of [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol?
The InChIKey is NCGUHAXXAFATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-4-5-11-9-8(7-14)6-12-10(13-9)15-2/h6,14H,3-5,7H2,1-2H3,(H,11,12,13).
What are the key properties of [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol?
[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol is sourced from PubChem (CID 10656911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).