6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine

C9H14ClN3OS — CID 115764320

IUPAC6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(C)S(C)=O)n1
InChIInChI=1S/C9H14ClN3OS/c1-6(15(3)14)5-11-9-4-8(10)12-7(2)13-9/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyVVIVTUQTHXPNBR-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.62
Rot. Bonds4

About 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine (PubChem CID 115764320) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
PubChem CID115764320
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(C)S(C)=O)n1
InChIInChI=1S/C9H14ClN3OS/c1-6(15(3)14)5-11-9-4-8(10)12-7(2)13-9/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyVVIVTUQTHXPNBR-UHFFFAOYSA-N
XLogP1.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
1-N-(6-chloro-2-methylpyrimidin-4-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 133282520
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
6-chloro-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 103742855
6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
2-N-ethyl-6-N-(2-methylsulfinylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719293
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine (CID 115764320) is 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine is Cc1nc(Cl)cc(NCC(C)S(C)=O)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine?
The InChIKey is VVIVTUQTHXPNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-6(15(3)14)5-11-9-4-8(10)12-7(2)13-9/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine has a molecular weight of 247.75 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 115764320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).