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

C10H15N3OS — CID 153306273

IUPAC4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
SMILES[H]N=S1(=O)CCc2ncnc(C(C)(C)C)c21
InChIInChI=1S/C10H15N3OS/c1-10(2,3)9-8-7(12-6-13-9)4-5-15(8,11)14/h6,11H,4-5H2,1-3H3
InChIKeyVWVPFCMREVSVCT-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.74
Rot. Bonds

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

4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide (PubChem CID 153306273) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide.

Molecular Properties

Compound Name4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
PubChem CID153306273
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
SMILES[H]N=S1(=O)CCc2ncnc(C(C)(C)C)c21
InChIInChI=1S/C10H15N3OS/c1-10(2,3)9-8-7(12-6-13-9)4-5-15(8,11)14/h6,11H,4-5H2,1-3H3
InChIKeyVWVPFCMREVSVCT-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58172317
(5S)-4-tert-butyl-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58172142
7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide
CID 159202573
N-(3-bicyclo[3.3.1]nonanylmethyl)-5-imino-5-oxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
CID 167960855
4,6-ditert-butyl-5-propan-2-ylpyrimidine
CID 59616923
(2S)-6-tert-butyl-2-imino-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide
CID 153306219
4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one
CID 57367072
4-tert-butyl-5-fluoro-6-methylpyrimidine
CID 91170661
5,6-ditert-butylpyrimidin-4-amine
CID 59120613
4-tert-butylfuro[3,2-d]pyrimidine
CID 58332108
bis(5-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide);6-tert-butyl-2-methylidene-1,3-dihydrothieno[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-2,3-dihydrothieno[2,3-c]pyridine 1-oxide;bis(2-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide);2-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;4-tert-butyl-5-methylidene-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide;4-tert-butyl-6-methylidene-5,7-dihydrothieno[3,4-d]pyrimidine 6-oxide;6-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide;6-tert-butyl-2-methylidene-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine 2-oxide;7-tert-butyl-1-methylidene-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine 1-oxide
CID 165083683
5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
CID 163551632

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The IUPAC name of 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide (CID 153306273) is 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide.
What is the SMILES notation for 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The canonical SMILES for 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide is [H]N=S1(=O)CCc2ncnc(C(C)(C)C)c21.
What is the InChIKey of 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The InChIKey is VWVPFCMREVSVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-10(2,3)9-8-7(12-6-13-9)4-5-15(8,11)14/h6,11H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide has a molecular weight of 225.32 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-imino-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide is sourced from PubChem (CID 153306273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).