6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H20ClN3S — CID 106194049

IUPAC6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C16H20ClN3S/c1-9(2)15-19-14(17)10(3)16(20-15)18-8-12-7-11-5-4-6-13(11)21-12/h7,9H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyUYPDRXFRDJKULZ-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.72
Rot. Bonds4

About 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106194049) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID106194049
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C16H20ClN3S/c1-9(2)15-19-14(17)10(3)16(20-15)18-8-12-7-11-5-4-6-13(11)21-12/h7,9H,4-6,8H2,1-3H3,(H,18,19,20)
InChIKeyUYPDRXFRDJKULZ-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 106194049) is 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCc1cc2c(s1)CCC2.
What is the InChIKey of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is UYPDRXFRDJKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-9(2)15-19-14(17)10(3)16(20-15)18-8-12-7-11-5-4-6-13(11)21-12/h7,9H,4-6,8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 321.88 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106194049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).