2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide

C10H15N3OS — CID 153306204

IUPAC2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
SMILES[H]N=S1(=O)Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C10H15N3OS/c1-10(2,3)9-12-4-7-5-15(11,14)6-8(7)13-9/h4,11H,5-6H2,1-3H3
InChIKeySSTVBHGWNUXGSJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.83
Rot. Bonds

About 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide

2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide (PubChem CID 153306204) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide.

Molecular Properties

Compound Name2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
PubChem CID153306204
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
SMILES[H]N=S1(=O)Cc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C10H15N3OS/c1-10(2,3)9-12-4-7-5-15(11,14)6-8(7)13-9/h4,11H,5-6H2,1-3H3
InChIKeySSTVBHGWNUXGSJ-UHFFFAOYSA-N
XLogP1.83
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-imino-2-(1-iodoethyl)-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide
CID 142414041
2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797
(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 153306219
6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-amine
CID 105441509
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609
1-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 56758681
2-tert-butyl-6-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 56723422
2-tert-butyl-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909749
5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazine-2-carboxylic acid
CID 136555483
2,6-ditert-butyl-6,7-dihydrofuro[3,2-d]pyrimidine
CID 167377264
2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine
CID 58100280
(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[(2S)-spiro[2.3]hexan-2-yl]methanone
CID 95228878

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The IUPAC name of 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide (CID 153306204) is 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide.
What is the SMILES notation for 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The canonical SMILES for 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide is [H]N=S1(=O)Cc2cnc(C(C)(C)C)nc2C1.
What is the InChIKey of 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
The InChIKey is SSTVBHGWNUXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-10(2,3)9-12-4-7-5-15(11,14)6-8(7)13-9/h4,11H,5-6H2,1-3H3.
What are the key properties of 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide?
2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide has a molecular weight of 225.32 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-imino-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide is sourced from PubChem (CID 153306204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).