N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine

C13H17N3OS — CID 103742766

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CC(Nc2ncnc3sccc23)C1(C)C
InChIInChI=1S/C13H17N3OS/c1-13(2)9(6-10(13)17-3)16-11-8-4-5-18-12(8)15-7-14-11/h4-5,7,9-10H,6H2,1-3H3,(H,14,15,16)
InChIKeyOVBHCTXIUPOJCV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.92
Rot. Bonds3

About N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine

N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103742766) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103742766
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CC(Nc2ncnc3sccc23)C1(C)C
InChIInChI=1S/C13H17N3OS/c1-13(2)9(6-10(13)17-3)16-11-8-4-5-18-12(8)15-7-14-11/h4-5,7,9-10H,6H2,1-3H3,(H,14,15,16)
InChIKeyOVBHCTXIUPOJCV-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
CID 113253015
5-bromo-4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
CID 114121042
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
1-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexane-1-carboxylic acid
CID 83214302
N-(3-ethyl-2-methylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 64923589
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
CID 103742729
N-(3-methylsulfanylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103704155
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine
CID 103826199
N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine
CID 43599139
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine (CID 103742766) is N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine is COC1CC(Nc2ncnc3sccc23)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OVBHCTXIUPOJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2)9(6-10(13)17-3)16-11-8-4-5-18-12(8)15-7-14-11/h4-5,7,9-10H,6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103742766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).