6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine

C6H8ClN3OS — CID 96555785

IUPAC6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine
SMILESCNc1cc(Cl)nc([S@](C)=O)n1
InChIInChI=1S/C6H8ClN3OS/c1-8-5-3-4(7)9-6(10-5)12(2)11/h3H,1-2H3,(H,8,9,10)/t12-/m0/s1
InChIKeyYZPNVDZULLTKDA-LBPRGKRZSA-N
MW205.67 g/mol
LogP0.91
Rot. Bonds2

About 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine

6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine (PubChem CID 96555785) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine
PubChem CID96555785
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine
SMILESCNc1cc(Cl)nc([S@](C)=O)n1
InChIInChI=1S/C6H8ClN3OS/c1-8-5-3-4(7)9-6(10-5)12(2)11/h3H,1-2H3,(H,8,9,10)/t12-/m0/s1
InChIKeyYZPNVDZULLTKDA-LBPRGKRZSA-N
XLogP0.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-methylsulfinylpyrimidine
CID 156832139
2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine
CID 86331156
2,6-dichloro-N-methylpyrimidin-4-amine;4,6-dichloro-N-methylpyrimidin-2-amine
CID 158773351
6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
CID 130006754
6-chloro-2-methyl-N-(2-methylsulfinylpropyl)pyrimidin-4-amine
CID 115764320
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 78954215
5-bromo-4,6-dichloro-2-methylsulfinylpyrimidine
CID 133080951
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
4,6-bis(methylamino)-1H-pyrimidin-2-one
CID 83864225
6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine
CID 159631663
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
5-chloro-N-methylpyrazin-2-amine;hydrochloride
CID 172741687

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine (CID 96555785) is 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine is CNc1cc(Cl)nc([S@](C)=O)n1.
What is the InChIKey of 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine?
The InChIKey is YZPNVDZULLTKDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-8-5-3-4(7)9-6(10-5)12(2)11/h3H,1-2H3,(H,8,9,10)/t12-/m0/s1.
What are the key properties of 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine?
6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine has a molecular weight of 205.67 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-[(S)-methylsulfinyl]pyrimidin-4-amine is sourced from PubChem (CID 96555785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).