9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine

C12H10ClN3S — CID 2739435

IUPAC9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
SMILESCC1Sc2ccc(Cl)cc2-c2nc(N)ncc21
InChIInChI=1S/C12H10ClN3S/c1-6-9-5-15-12(14)16-11(9)8-4-7(13)2-3-10(8)17-6/h2-6H,1H3,(H2,14,15,16)
InChIKeyIRMOVYCOOYNMIP-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.55
Rot. Bonds

About 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine

9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (PubChem CID 2739435) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
PubChem CID2739435
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
SMILESCC1Sc2ccc(Cl)cc2-c2nc(N)ncc21
InChIInChI=1S/C12H10ClN3S/c1-6-9-5-15-12(14)16-11(9)8-4-7(13)2-3-10(8)17-6/h2-6H,1H3,(H2,14,15,16)
InChIKeyIRMOVYCOOYNMIP-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The IUPAC name of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (CID 2739435) is 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is CC1Sc2ccc(Cl)cc2-c2nc(N)ncc21.
What is the InChIKey of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The InChIKey is IRMOVYCOOYNMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-6-9-5-15-12(14)16-11(9)8-4-7(13)2-3-10(8)17-6/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine has a molecular weight of 263.75 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 2739435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).