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

C14H16N4OS — CID 133347637

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1noc(C)c1CCCNc1ncnc2sccc12
InChIInChI=1S/C14H16N4OS/c1-9-11(10(2)19-18-9)4-3-6-15-13-12-5-7-20-14(12)17-8-16-13/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyYYOJCVBMHSDYQN-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.34
Rot. Bonds5

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

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133347637) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133347637
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1noc(C)c1CCCNc1ncnc2sccc12
InChIInChI=1S/C14H16N4OS/c1-9-11(10(2)19-18-9)4-3-6-15-13-12-5-7-20-14(12)17-8-16-13/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyYYOJCVBMHSDYQN-UHFFFAOYSA-N
XLogP3.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 67600724
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
5-methyl-N-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 47061394

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 133347637) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is Cc1noc(C)c1CCCNc1ncnc2sccc12.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YYOJCVBMHSDYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9-11(10(2)19-18-9)4-3-6-15-13-12-5-7-20-14(12)17-8-16-13/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133347637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).