N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine

C14H15N5OS — CID 72861166

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2nc(C3CC3)no2)c2sccc2n1
InChIInChI=1S/C14H15N5OS/c1-8-15-10-5-6-21-12(10)14(16-8)19(2)7-11-17-13(18-20-11)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3
InChIKeyRSSIPANYEZMJSC-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.90
Rot. Bonds4

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 72861166) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine
PubChem CID72861166
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc(N(C)Cc2nc(C3CC3)no2)c2sccc2n1
InChIInChI=1S/C14H15N5OS/c1-8-15-10-5-6-21-12(10)14(16-8)19(2)7-11-17-13(18-20-11)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3
InChIKeyRSSIPANYEZMJSC-UHFFFAOYSA-N
XLogP2.90
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine (CID 72861166) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine is Cc1nc(N(C)Cc2nc(C3CC3)no2)c2sccc2n1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is RSSIPANYEZMJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8-15-10-5-6-21-12(10)14(16-8)19(2)7-11-17-13(18-20-11)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 301.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 72861166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).