6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine

C10H14ClN3OS — CID 82749005

IUPAC6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)C2CCOC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-14(7-3-4-15-6-7)9-5-8(11)12-10(13-9)16-2/h5,7H,3-4,6H2,1-2H3
InChIKeyABUDWDFPKDTREN-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.08
Rot. Bonds3

About 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine

6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 82749005) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID82749005
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(N(C)C2CCOC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-14(7-3-4-15-6-7)9-5-8(11)12-10(13-9)16-2/h5,7H,3-4,6H2,1-2H3
InChIKeyABUDWDFPKDTREN-UHFFFAOYSA-N
XLogP2.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 82745901
6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride
CID 71643140
6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
CID 103888875
2-methyl-6-[methyl(oxolan-3-yl)amino]pyridine-4-carbothioamide
CID 114767884
N-methyl-2-methylsulfanyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 175652021
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546756
6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 61279787
4-N-methyl-4-N-(oxolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915750
tert-butyl (3S)-3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]piperidine-1-carboxylate
CID 71648561
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80545373
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686
N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine
CID 82742861

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine (CID 82749005) is 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine is CSc1nc(Cl)cc(N(C)C2CCOC2)n1.
What is the InChIKey of 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is ABUDWDFPKDTREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-14(7-3-4-15-6-7)9-5-8(11)12-10(13-9)16-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine?
6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 259.76 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 82749005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).