5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

C11H18ClN3OS — CID 106162555

IUPAC5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCSc1nc(Cl)cc(NCCCC(C)CO)n1
InChIInChI=1S/C11H18ClN3OS/c1-8(7-16)4-3-5-13-10-6-9(12)14-11(15-10)17-2/h6,8,16H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyDIGQXAKHVNATGF-UHFFFAOYSA-N
MW275.81 g/mol
LogP2.67
Rot. Bonds7

About 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 106162555) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID106162555
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCSc1nc(Cl)cc(NCCCC(C)CO)n1
InChIInChI=1S/C11H18ClN3OS/c1-8(7-16)4-3-5-13-10-6-9(12)14-11(15-10)17-2/h6,8,16H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyDIGQXAKHVNATGF-UHFFFAOYSA-N
XLogP2.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 52.67
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

5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
4-N-(4-methylpentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80831312
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80547202

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 106162555) is 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is CSc1nc(Cl)cc(NCCCC(C)CO)n1.
What is the InChIKey of 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is DIGQXAKHVNATGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-8(7-16)4-3-5-13-10-6-9(12)14-11(15-10)17-2/h6,8,16H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 275.81 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106162555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).