4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine

C8H10ClN3OS — CID 126988373

IUPAC4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(SC2CCOC2)n1
InChIInChI=1S/C8H10ClN3OS/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12)
InChIKeyVOEFJUNSZOPINW-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.59
Rot. Bonds2

About 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine

4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine (PubChem CID 126988373) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine
PubChem CID126988373
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(SC2CCOC2)n1
InChIInChI=1S/C8H10ClN3OS/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12)
InChIKeyVOEFJUNSZOPINW-UHFFFAOYSA-N
XLogP1.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine (CID 126988373) is 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine is Nc1nc(Cl)cc(SC2CCOC2)n1.
What is the InChIKey of 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is VOEFJUNSZOPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12).
What are the key properties of 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine?
4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 231.71 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxolan-3-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 126988373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).