2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine

C11H13N3OS — CID 116728373

IUPAC2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1(c2nc(N)c3ccsc3n2)CCC1
InChIInChI=1S/C11H13N3OS/c1-15-11(4-2-5-11)10-13-8(12)7-3-6-16-9(7)14-10/h3,6H,2,4-5H2,1H3,(H2,12,13,14)
InChIKeyDZSFRXHHCMNCTN-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.30
Rot. Bonds2

About 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine

2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 116728373) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID116728373
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1(c2nc(N)c3ccsc3n2)CCC1
InChIInChI=1S/C11H13N3OS/c1-15-11(4-2-5-11)10-13-8(12)7-3-6-16-9(7)14-10/h3,6H,2,4-5H2,1H3,(H2,12,13,14)
InChIKeyDZSFRXHHCMNCTN-UHFFFAOYSA-N
XLogP2.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methoxy-4,4-dimethylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777447
2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 80681411
2-(1-phenylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 63080790
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
2-(1-ethoxycyclopentyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 116775464
2-(1-methoxy-3-methylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116775498
2-(1-methoxycyclobutyl)pyrimidin-4-amine
CID 116728675
[2-(4-ethoxyoxan-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 116777429
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
4-ethyl-6-(1-methoxycyclobutyl)-1,3,5-triazin-2-amine
CID 116734026
4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327459

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine (CID 116728373) is 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine is COC1(c2nc(N)c3ccsc3n2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DZSFRXHHCMNCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-11(4-2-5-11)10-13-8(12)7-3-6-16-9(7)14-10/h3,6H,2,4-5H2,1H3,(H2,12,13,14).
What are the key properties of 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine?
2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 235.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116728373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).