N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C16H15N3S — CID 723144

IUPACN-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1
InChIInChI=1S/C16H15N3S/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,19)
InChIKeyUEEWZNQADKMZNR-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.31
Rot. Bonds2

About N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 723144) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID723144
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1
InChIInChI=1S/C16H15N3S/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,19)
InChIKeyUEEWZNQADKMZNR-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 723144) is N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1.
What is the InChIKey of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UEEWZNQADKMZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H,17,18,19).
What are the key properties of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 723144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).