N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine

C13H17N3S — CID 3469075

IUPACN-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CCCCC1Nc1ncnc2sccc12
InChIInChI=1S/C13H17N3S/c1-9-4-2-3-5-11(9)16-12-10-6-7-17-13(10)15-8-14-12/h6-9,11H,2-5H2,1H3,(H,14,15,16)
InChIKeyNXEMGEORMSAQQR-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.68
Rot. Bonds2

About N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 3469075) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID3469075
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC1CCCCC1Nc1ncnc2sccc12
InChIInChI=1S/C13H17N3S/c1-9-4-2-3-5-11(9)16-12-10-6-7-17-13(10)15-8-14-12/h6-9,11H,2-5H2,1H3,(H,14,15,16)
InChIKeyNXEMGEORMSAQQR-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine (CID 3469075) is N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine is CC1CCCCC1Nc1ncnc2sccc12.
What is the InChIKey of N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NXEMGEORMSAQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-4-2-3-5-11(9)16-12-10-6-7-17-13(10)15-8-14-12/h6-9,11H,2-5H2,1H3,(H,14,15,16).
What are the key properties of N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3469075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).