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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Related Compounds

6-(oxolan-3-ylsulfanyl)pyridin-3-amine
CID 63558770
6-(oxan-4-ylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80890105
3-chloro-2-(oxolan-3-ylsulfanyl)aniline
CID 63558962
3-chloro-2-(oxolan-3-ylsulfanyl)pyridine
CID 131089908
2-amino-6-chloro-1H-pyridine-4-thione;6-chloro-4-[(3S)-oxolan-3-yl]sulfanylpyridin-2-amine;ethoxyethane
CID 162176748
2-chloro-6-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 79326598
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
4-methyl-5-(oxolan-3-ylsulfanyl)-1,3-thiazol-2-amine
CID 63558955
3-bromo-4-(oxolan-3-ylsulfanyl)aniline
CID 82840749
3-(4-bromophenyl)sulfanyloxolane
CID 77406303
2-methyl-3-[(3S)-oxolan-3-yl]sulfanylquinoxaline
CID 124620253
4-chloro-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 103704895

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).