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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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).