N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine

C13H15N3S — CID 55112619

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C13H15N3S/c1-9-14-6-5-13(16-9)15-8-11-7-10-3-2-4-12(10)17-11/h5-7H,2-4,8H2,1H3,(H,14,15,16)
InChIKeyXDXQQLNTXVZIDB-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.95
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine (PubChem CID 55112619) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine
PubChem CID55112619
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C13H15N3S/c1-9-14-6-5-13(16-9)15-8-11-7-10-3-2-4-12(10)17-11/h5-7H,2-4,8H2,1H3,(H,14,15,16)
InChIKeyXDXQQLNTXVZIDB-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine (CID 55112619) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine is Cc1nccc(NCc2cc3c(s2)CCC3)n1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine?
The InChIKey is XDXQQLNTXVZIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-14-6-5-13(16-9)15-8-11-7-10-3-2-4-12(10)17-11/h5-7H,2-4,8H2,1H3,(H,14,15,16).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 55112619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).