5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine

C9H14ClN3OS — CID 115715718

IUPAC5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
SMILESCC(CCNc1ncc(Cl)cn1)S(C)=O
InChIInChI=1S/C9H14ClN3OS/c1-7(15(2)14)3-4-11-9-12-5-8(10)6-13-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyRAXNQMXCFNUGRT-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.70
Rot. Bonds5

About 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine

5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine (PubChem CID 115715718) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
PubChem CID115715718
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
SMILESCC(CCNc1ncc(Cl)cn1)S(C)=O
InChIInChI=1S/C9H14ClN3OS/c1-7(15(2)14)3-4-11-9-12-5-8(10)6-13-9/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyRAXNQMXCFNUGRT-UHFFFAOYSA-N
XLogP1.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
CID 115715766
6-chloro-4-N-methyl-2-N-(3-methylsulfinylbutyl)-1,3,5-triazine-2,4-diamine
CID 113490935
5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
CID 107816307
ethyl 4-methyl-2-(3-methylsulfinylbutylamino)pyrimidine-5-carboxylate
CID 115967587
N-(3-methylsulfinylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204512
5-chloro-N-(2,3-dimethylbutyl)pyrimidin-2-amine
CID 79557408
N-(2-methylsulfinylpropyl)pyrimidin-2-amine
CID 115764312
5-chloro-N-hexylpyrimidin-2-amine
CID 79555195
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
CID 115729500
2-chloro-6-methyl-4-N-(3-methylsulfinylbutyl)pyrimidine-4,5-diamine
CID 114043968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine (CID 115715718) is 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine is CC(CCNc1ncc(Cl)cn1)S(C)=O.
What is the InChIKey of 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
The InChIKey is RAXNQMXCFNUGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-7(15(2)14)3-4-11-9-12-5-8(10)6-13-9/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine?
5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine has a molecular weight of 247.75 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylsulfinylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 115715718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).