N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H17N5OS — CID 46994597

IUPACN,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1nc(CN(C)c2nc(C)nc3sccc23)no1
InChIInChI=1S/C14H17N5OS/c1-4-5-12-17-11(18-20-12)8-19(3)13-10-6-7-21-14(10)16-9(2)15-13/h6-7H,4-5,8H2,1-3H3
InChIKeyOIOYMRFVZTYCHX-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.97
Rot. Bonds5

About N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46994597) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID46994597
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1nc(CN(C)c2nc(C)nc3sccc23)no1
InChIInChI=1S/C14H17N5OS/c1-4-5-12-17-11(18-20-12)8-19(3)13-10-6-7-21-14(10)16-9(2)15-13/h6-7H,4-5,8H2,1-3H3
InChIKeyOIOYMRFVZTYCHX-UHFFFAOYSA-N
XLogP2.97
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 46994597) is N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCCc1nc(CN(C)c2nc(C)nc3sccc23)no1.
What is the InChIKey of N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OIOYMRFVZTYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-4-5-12-17-11(18-20-12)8-19(3)13-10-6-7-21-14(10)16-9(2)15-13/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46994597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).