N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine

C13H16ClN3S — CID 62189688

IUPACN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
SMILESCN(Cc1nc(Cl)c2ccsc2n1)C1CCCC1
InChIInChI=1S/C13H16ClN3S/c1-17(9-4-2-3-5-9)8-11-15-12(14)10-6-7-18-13(10)16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyAGNHWJLKZAXDFD-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.72
Rot. Bonds3

About N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine

N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine (PubChem CID 62189688) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
PubChem CID62189688
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
SMILESCN(Cc1nc(Cl)c2ccsc2n1)C1CCCC1
InChIInChI=1S/C13H16ClN3S/c1-17(9-4-2-3-5-9)8-11-15-12(14)10-6-7-18-13(10)16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyAGNHWJLKZAXDFD-UHFFFAOYSA-N
XLogP3.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736
4-chloro-2-(cyclohexylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 62188998
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
CID 62188469
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
4-chloro-2-[(3-methylcyclohexyl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 62721884
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62187944
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112658823
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62189221
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 79187954
4-chloro-2-[(4-methylazepan-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 63623906
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine
CID 82744158
[1-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62189753

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine (CID 62189688) is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine is CN(Cc1nc(Cl)c2ccsc2n1)C1CCCC1.
What is the InChIKey of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine?
The InChIKey is AGNHWJLKZAXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-17(9-4-2-3-5-9)8-11-15-12(14)10-6-7-18-13(10)16-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine?
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine has a molecular weight of 281.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine is sourced from PubChem (CID 62189688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).