6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C15H16ClN3S — CID 80546785

IUPAC6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C15H16ClN3S/c1-20-15-18-13(16)9-14(19-15)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H,17,18,19)
InChIKeyVYOARXGCSGVRGE-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.34
Rot. Bonds3

About 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 80546785) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID80546785
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC2CCCc3ccccc32)n1
InChIInChI=1S/C15H16ClN3S/c1-20-15-18-13(16)9-14(19-15)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H,17,18,19)
InChIKeyVYOARXGCSGVRGE-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 80546785) is 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is CSc1nc(Cl)cc(NC2CCCc3ccccc32)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is VYOARXGCSGVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-20-15-18-13(16)9-14(19-15)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 305.83 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80546785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).