N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C12H13N7S — CID 154786699

IUPACN-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1nnnn1C1CC1
InChIInChI=1S/C12H13N7S/c1-7(11-16-17-18-19(11)8-2-3-8)15-10-9-4-5-20-12(9)14-6-13-10/h4-8H,2-3H2,1H3,(H,13,14,15)
InChIKeyYMCIHLVIJPTZHU-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.19
Rot. Bonds4

About N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 154786699) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID154786699
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC NameN-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2sccc12)c1nnnn1C1CC1
InChIInChI=1S/C12H13N7S/c1-7(11-16-17-18-19(11)8-2-3-8)15-10-9-4-5-20-12(9)14-6-13-10/h4-8H,2-3H2,1H3,(H,13,14,15)
InChIKeyYMCIHLVIJPTZHU-UHFFFAOYSA-N
XLogP2.19
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 154786699) is N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2sccc12)c1nnnn1C1CC1.
What is the InChIKey of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YMCIHLVIJPTZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-7(11-16-17-18-19(11)8-2-3-8)15-10-9-4-5-20-12(9)14-6-13-10/h4-8H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropyltetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154786699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).