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

C12H11N3S — CID 63550137

IUPACN-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
SMILESCNc1ncc2c(n1)-c1ccccc1SC2
InChIInChI=1S/C12H11N3S/c1-13-12-14-6-8-7-16-10-5-3-2-4-9(10)11(8)15-12/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyNYLVQAFTSUVCAW-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.79
Rot. Bonds1

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

N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (PubChem CID 63550137) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
PubChem CID63550137
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC NameN-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
SMILESCNc1ncc2c(n1)-c1ccccc1SC2
InChIInChI=1S/C12H11N3S/c1-13-12-14-6-8-7-16-10-5-3-2-4-9(10)11(8)15-12/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyNYLVQAFTSUVCAW-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (CID 63550137) is N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is CNc1ncc2c(n1)-c1ccccc1SC2.
What is the InChIKey of N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The InChIKey is NYLVQAFTSUVCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-13-12-14-6-8-7-16-10-5-3-2-4-9(10)11(8)15-12/h2-6H,7H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine has a molecular weight of 229.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 63550137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).