N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H16N6S — CID 100639414

IUPACN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCCc3nnc4n3CCC4)ncnc12
InChIInChI=1S/C14H16N6S/c1-9-7-21-13-12(9)16-8-17-14(13)15-5-4-11-19-18-10-3-2-6-20(10)11/h7-8H,2-6H2,1H3,(H,15,16,17)
InChIKeyJOWOLEDQWQPCMB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 100639414) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID100639414
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NCCc3nnc4n3CCC4)ncnc12
InChIInChI=1S/C14H16N6S/c1-9-7-21-13-12(9)16-8-17-14(13)15-5-4-11-19-18-10-3-2-6-20(10)11/h7-8H,2-6H2,1H3,(H,15,16,17)
InChIKeyJOWOLEDQWQPCMB-UHFFFAOYSA-N
XLogP2.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 100639414) is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NCCc3nnc4n3CCC4)ncnc12.
What is the InChIKey of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JOWOLEDQWQPCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-9-7-21-13-12(9)16-8-17-14(13)15-5-4-11-19-18-10-3-2-6-20(10)11/h7-8H,2-6H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 300.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 100639414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).