7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C17H18N4 — CID 66407572

IUPAC7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC2Cc3ccccc32)c2ncnc(N)c12
InChIInChI=1S/C17H18N4/c1-10-11(2)21(17-15(10)16(18)19-9-20-17)8-13-7-12-5-3-4-6-14(12)13/h3-6,9,13H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyULQWKWOMXOMPIA-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.97
Rot. Bonds2

About 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 66407572) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID66407572
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC2Cc3ccccc32)c2ncnc(N)c12
InChIInChI=1S/C17H18N4/c1-10-11(2)21(17-15(10)16(18)19-9-20-17)8-13-7-12-5-3-4-6-14(12)13/h3-6,9,13H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyULQWKWOMXOMPIA-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 64597836
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine
CID 106575971
7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 102700019
7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43591434
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662
5,6-dimethyl-7-(4,4,4-trifluorobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115521663
5,6-dimethyl-7-(5-methylhexyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115326743
7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82730631
5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114701586
N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
CID 43546324
7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 107817677
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(chloromethyl)benzimidazole
CID 66409975

Frequently Asked Questions

What is the IUPAC name of 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 66407572) is 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CC2Cc3ccccc32)c2ncnc(N)c12.
What is the InChIKey of 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ULQWKWOMXOMPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-10-11(2)21(17-15(10)16(18)19-9-20-17)8-13-7-12-5-3-4-6-14(12)13/h3-6,9,13H,7-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66407572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).