4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine

C14H15N3S — CID 80893867

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C14H15N3S/c1-9-8-16-14(15)17-13(9)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H2,15,16,17)
InChIKeyABLOFHNXEHXPCV-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.01
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine (PubChem CID 80893867) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
PubChem CID80893867
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C14H15N3S/c1-9-8-16-14(15)17-13(9)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H2,15,16,17)
InChIKeyABLOFHNXEHXPCV-UHFFFAOYSA-N
XLogP3.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine (CID 80893867) is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1Sc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine?
The InChIKey is ABLOFHNXEHXPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-8-16-14(15)17-13(9)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4H2,1H3,(H2,15,16,17).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine?
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine has a molecular weight of 257.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80893867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).