4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine

C9H9ClN4OS — CID 71943121

IUPAC4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nc(Sc2cc(Cl)nc(N)n2)oc1C
InChIInChI=1S/C9H9ClN4OS/c1-4-5(2)15-9(12-4)16-7-3-6(10)13-8(11)14-7/h3H,1-2H3,(H2,11,13,14)
InChIKeyDSFJKIACARXQOA-UHFFFAOYSA-N
MW256.72 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine

4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 71943121) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID71943121
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nc(Sc2cc(Cl)nc(N)n2)oc1C
InChIInChI=1S/C9H9ClN4OS/c1-4-5(2)15-9(12-4)16-7-3-6(10)13-8(11)14-7/h3H,1-2H3,(H2,11,13,14)
InChIKeyDSFJKIACARXQOA-UHFFFAOYSA-N
XLogP2.47
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 71943121) is 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is Cc1nc(Sc2cc(Cl)nc(N)n2)oc1C.
What is the InChIKey of 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is DSFJKIACARXQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-4-5(2)15-9(12-4)16-7-3-6(10)13-8(11)14-7/h3H,1-2H3,(H2,11,13,14).
What are the key properties of 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine?
4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 256.72 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 71943121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).